2-Chloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)propanamide
Basic information
- CAS
1365962-04-4- Standard SMILES
CC(Cl)C(=O)Nc1sc2c(c1C#N)CCC(c1ccccc1)C2- InChIKey
STNRKOCXVVIODB-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2OS
- Average molar mass
- 344.9 g/mol
- Monoisotopic mass
- 344.075012
Names & identifiers
- Preferred name
- 2-Chloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)propanamide
- IUPAC
- 2-chloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Names & synonyms
1365962-04-42-Chloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)propanamidepropanamide, 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-6-phenylbenzo[b]thien-2-yl)-MFCD220565972-chloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide2-Chloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propanamideDTXSID401134115ALBB-018861AKOS015997785H32748
Database identifiers
- CAS
1365962-04-4- PubChem CID
- 71299985
- DTXSID
DTXSID401134115
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
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Compound notes
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