Basic information
- Standard SMILES
COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)NCCN2CCc3cc(C#N)ccc32)c1- InChIKey
SXGVGLZOHFOPHF-SANMLTNESA-N- Molecular formula
- C29H36N4O3
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.27874102
Names & identifiers
- Preferred name
- (S)-N-{3-Cyclohexyl-1-[2-(5-cyano-2,3-dihydro-indol-1-yl)-ethylcarbamoyl]-propyl}-3-methoxy-benzamide
- IUPAC
- N-[(2S)-1-[2-(5-cyano-2,3-dihydroindol-1-yl)ethylamino]-4-cyclohexyl-1-oxobutan-2-yl]-3-methoxybenzamide
Names & synonyms
SCHEMBL4798871SXGVGLZOHFOPHF-SANMLTNESA-N(S)-N-{3-Cyclohexyl-1-[2-(5-cyano-2,3-dihydro-indol-1-yl)-ethylcarbamoyl]-propyl}-3-methoxy-benzamide
Database identifiers
- PubChem CID
- 11237152
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 774
Related reactions
1 records
Compound notes
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