Basic information
- Standard SMILES
CCOC(=O)c1cccc(-c2ccccc2Cn2ccc3cc(C(=O)N[C@@H](C)c4ccc([N+](=O)[O-])cc4)ccc32)c1- InChIKey
QHNMCGGZTLBACH-QFIPXVFZSA-N- Molecular formula
- C33H29N3O5
- Average molar mass
- 547.6 g/mol
Names & identifiers
- Preferred name
- (S)-Ethyl 2'-((5-((1-(4-nitrophenyl)ethyl)carbamoyl)-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-3-carboxylate
- IUPAC
- ethyl 3-[2-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate
Names & synonyms
SCHEMBL14211074SCHEMBL30300672QHNMCGGZTLBACH-QFIPXVFZSA-N(S)-Ethyl 2'-((5-((1-(4-nitrophenyl)ethyl)carbamoyl)-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-3-carboxylate
Database identifiers
- PubChem CID
- 71099455
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 900
Related reactions
1 records
Compound notes
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