2-Borono-6-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester

Name: 2-Borono-6-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester
SKU: ACM913388597
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CAS

913388-59-7

Catalog Number

ACM913388597

Category

Other Products

Molecular Formula

C₂₃H₃₂BN₃O₇

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Specification

Synonyms

1H-Indole-1-carboxylic acid, 2-borono-6-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-, 1-(1,1-dimethylethyl) ester

What is the molecular formula of the compound?

The molecular formula is C23H32BN3O7.

What is the molecular weight of the compound?

The molecular weight is 473.3 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonyl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]indol-2-yl]boronic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C23H32BN3O7/c1-22(2,3)33-20(29)26-11-9-25(10-12-26)19(28)16-8-7-15-14-18(24(31)32)27(17(15)13-16)21(30)34-23(4,5)6/h7-8,13-14,31-32H,9-12H2,1-6H3.

What is the InChIKey of the compound?

The InChIKey is HATFYIYDEXBADO-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 7 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 6 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 122?2.

Is the compound canonicalized?

Yes, the compound is canonicalized.