3-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dimethylcyclohexyl)propanamide
Basic information
- CAS
6779-51-7- Standard SMILES
CC1CCCC(NC(=O)CCSCc2ccc(Cl)cc2)C1C- InChIKey
REVIGAMHFTYXHP-UHFFFAOYSA-N- Molecular formula
- C18H26ClNOS
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.1423633
Names & identifiers
- Preferred name
- 3-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dimethylcyclohexyl)propanamide
- IUPAC
- 3-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dimethylcyclohexyl)propanamide
Names & synonyms
3-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dimethylcyclohexyl)propanamide6779-51-73-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-N-(2,3-DIMETHYLCYCLOHEXYL)PROPANAMIDEDTXSID70410596AKOS002124552AKOS021614211EU-0097618
Database identifiers
- CAS
6779-51-7- PubChem CID
- 5215656
- DTXSID
DTXSID70410596
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
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Compound notes
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