CAS
92085-96-6 Purity
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92085-96-6 Purity
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Des(methoxycarbonyl)febantel
CAS
92088-58-9
Catalog Number
ACM92088589
Category
Other Products
Molecular Weight
388.44
Molecular Formula
C18H20N4O4S
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Specification
Synonyms
[Imino[[2-[(methoxyacetyl)amino]-4-(phenylthio)phenyl]amino]methyl]carbamic Acid Methyl Ester;
IUPAC Name
methyl (NE)-N-[amino-[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylanilino]methylidene]carbamate
SMILES
COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=NC(=O)OC)N
InChI Key
BKUWUQNLCHLEQV-UHFFFAOYSA-N
Exact Mass
388.12100
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of Des(methoxycarbonyl)febantel?
The molecular formula of Des(methoxycarbonyl)febantel is C18H20N4O4S.
What is the molecular weight of Des(methoxycarbonyl)febantel?
The molecular weight of Des(methoxycarbonyl)febantel is 388.4 g/mol.
What is the IUPAC name of Des(methoxycarbonyl)febantel?
The IUPAC name of Des(methoxycarbonyl)febantel is methyl N-[N'-[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylphenyl]carbamimidoyl]carbamate.
What is the InChIKey of Des(methoxycarbonyl)febantel?
The InChIKey of Des(methoxycarbonyl)febantel is BKUWUQNLCHLEQV-UHFFFAOYSA-N.
What is the canonical SMILES representation of Des(methoxycarbonyl)febantel?
The canonical SMILES representation of Des(methoxycarbonyl)febantel is COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N=C(N)NC(=O)OC.
What is the CAS number of Des(methoxycarbonyl)febantel?
The CAS number of Des(methoxycarbonyl)febantel is 92088-58-9.
How many hydrogen bond donor counts does Des(methoxycarbonyl)febantel have?
Des(methoxycarbonyl)febantel has 3 hydrogen bond donor counts.
What is the xLogP3-AA value of Des(methoxycarbonyl)febantel?
The xLogP3-AA value of Des(methoxycarbonyl)febantel is 2.7.
What is the topological polar surface area of Des(methoxycarbonyl)febantel?
The topological polar surface area of Des(methoxycarbonyl)febantel is 140 Ų.
Is Des(methoxycarbonyl)febantel canonicalized?
Yes, Des(methoxycarbonyl)febantel is canonicalized.
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