Basic information
- Standard SMILES
CC(=O)O[C@@H](C)C(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12- InChIKey
XZQIZTWTSOFDAK-NSHDSACASA-N- Molecular formula
- C20H17ClN2O4
- Average molar mass
- 384.8 g/mol
Names & identifiers
- Preferred name
- (S)-(-)-3-(2-Acetoxypropionyl)amino-2-benzoyl-6-chloroindole
- IUPAC
- [(2S)-1-[(2-benzoyl-6-chloro-1H-indol-3-yl)amino]-1-oxopropan-2-yl] acetate
Names & synonyms
SCHEMBL7505400XZQIZTWTSOFDAK-NSHDSACASA-N(S)-(-)-3-(2-Acetoxypropionyl)amino-2-benzoyl-6-chloroindole(S)-(-)-3-(2-acetoxypropionylamino)-2-benzoyl-6-chloroindole
Database identifiers
- PubChem CID
- 54496751
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 578
Related reactions
2 records
Compound notes
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