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Structure

4-[(5-Chloro-2-thienyl)methyl]-1-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepan-5-one

CAS
909668-83-3
Catalog Number
ACM909668833
Category
Other Products
Molecular Weight
403.8495896
Molecular Formula
C17H17ClF3N3OS

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Specification

Synonyms
4-[(5-CHLORO-2-THIENYL)METHYL]-1-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHYL)-1,4-DIAZEPAN-5-ONE
What is the molecular formula of the compound identified by PubChem CID 24733243?

The molecular formula is C17H17ClF3N3OS.

What is the molecular weight of the compound?

The molecular weight is 403.8 g/mol.

What are some synonyms for the compound?

Synonyms include 909668-83-3, 4-[(5-chloro-2-thienyl)methyl]-1-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepan-5-one, and more.

What is the InChIKey of the compound?

The InChIKey is PTEMVPBYMCJMFC-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does the compound have?

The compound has 7 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 64.7 Ų.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.

When was the compound created and last modified on PubChem?

The compound was created on 2008-02-29 and last modified on 2023-12-30.

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