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
- Formal charge
- 0
- Complexity
- 776
Related reactions
6 records
Linked notes
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