Basic information
- Standard SMILES
C[C@H](NC(=O)c1cccc2ccn(Cc3ccc(Cl)cc3)c12)c1ccc(C(=O)NS(=O)(=O)CCCO)cc1- InChIKey
YQOYUEFRXVOJHS-IBGZPJMESA-N- Molecular formula
- C28H28ClN3O5S
- Average molar mass
- 554.1 g/mol
- Monoisotopic mass
- 553.1438199
Names & identifiers
- Preferred name
- 1-(4-chlorobenzyl)-N-[(1S)-1-(4-{[(3-hydroxypropyl)sulfonyl]carbamoyl}phenyl)ethyl]-1H-indole-7-carboxamide
- IUPAC
- 1-[(4-chlorophenyl)methyl]-N-[(1S)-1-[4-(3-hydroxypropylsulfonylcarbamoyl)phenyl]ethyl]indole-7-carboxamide
Names & synonyms
SCHEMBL988005YQOYUEFRXVOJHS-IBGZPJMESA-N1-(4-chlorobenzyl)-N-[(1S)-1-(4-{[(3-hydroxypropyl)sulfonyl]carbamoyl}phenyl)ethyl]-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 66868427
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 897
Related reactions
1 records
Compound notes
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