Basic information
- CAS
124184-82-3- Standard SMILES
C=C(Cl)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)NC- InChIKey
SMINKHULPBBZJV-JZWVFAODSA-N- Molecular formula
- C25H33Cl2N3O3
- Average molar mass
- 494.4 g/mol
- Monoisotopic mass
- 493.1898973
Names & identifiers
- Preferred name
- 5-Chloro-1H-indole-2-carboxylic acid ((1S,2S,4S)-6-chloro-1-cyclohexylmethyl-2-hydroxy-4-methylcarbamoyl-hept-6-enyl)-amide
- IUPAC
- 5-chloro-N-[(2S,3S,5S)-7-chloro-1-cyclohexyl-3-hydroxy-5-(methylcarbamoyl)oct-7-en-2-yl]-1H-indole-2-carboxamide
Names & synonyms
CHEMBL302095DTXSID701101624BDBM50144378124184-82-35-Chloro-1H-indole-2-carboxylic acid ((1S,2S,4S)-6-chloro-1-cyclohexylmethyl-2-hydroxy-4-methylcarbamoyl-hept-6-enyl)-amide1H-Indole-2-carboxamide, 5-chloro-N-[6-chloro-1-(cyclohexylmethyl)-2-hydroxy-4-[(methylamino)carbonyl]-6-heptenyl]-, [1S-(1R*,2R*,4R*)]-
Database identifiers
- CAS
124184-82-3- PubChem CID
- 14770534
- DTXSID
DTXSID701101624- ChEMBL
CHEMBL302095
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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