Basic information
- Standard SMILES
NC(=O)[C@@H]1CCCCC[C@@H]1N(Cc1ccc(-n2cccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1- InChIKey
MCZNPKCDKJKAAT-PKTZIBPZSA-N- Molecular formula
- C24H27ClN4O3S
- Average molar mass
- 487 g/mol
Names & identifiers
- Preferred name
- cis-2-[(4-Chlorobenzenesulfonyl)-(4-pyrazol-1-yl-benzyl)-amino]-cycloheptanecarboxylic acid amide
- IUPAC
- cis-(1R,2S)-2-[(4-chlorophenyl)sulfonyl-[(4-pyrazol-1-ylphenyl)methyl]amino]cycloheptane-1-carboxamide
Names & synonyms
SCHEMBL6076776MCZNPKCDKJKAAT-PKTZIBPZSA-Ncis-2-[(4-Chlorobenzenesulfonyl)-(4-pyrazol-1-yl-benzyl)-amino]-cycloheptanecarboxylic acid amide
Database identifiers
- PubChem CID
- 69655561
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 745
Related reactions
1 records
Compound notes
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