4-(4-{5-[(4-Chloro-benzo[b]thiophene-2-carbonyl)-amino]-pyridin-2-yl}-piperazin-1-yl)-2,2-dimethyl-4-oxo-butyric acid

HCID 46207828

Basic information

Standard SMILES
CC(C)(CC(=O)N1CCN(c2ccc(NC(=O)c3cc4c(Cl)cccc4s3)cn2)CC1)C(=O)O
InChIKey
ZRQFAPVDBTWLEI-UHFFFAOYSA-N
Molecular formula
C24H25ClN4O4S
Average molar mass
501 g/mol

Names & identifiers

Preferred name
4-(4-{5-[(4-Chloro-benzo[b]thiophene-2-carbonyl)-amino]-pyridin-2-yl}-piperazin-1-yl)-2,2-dimethyl-4-oxo-butyric acid
IUPAC
4-[4-[5-[(4-chloro-1-benzothiophene-2-carbonyl)amino]-2-pyridinyl]piperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid

Names & synonyms

SCHEMBL699913ZRQFAPVDBTWLEI-UHFFFAOYSA-N4-(4-{5-[(4-chloro-benzo[b]thiophene-2-carbonyl)-amino]-pyridin-2-yl}-piperazin-1-yl)-2,2-dimethyl-4-oxo-butyric acid

Database identifiers

PubChem CID
46207828

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
131 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
34

Related reactions

6 records

Linked notes

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