F1154-0050
Basic information
- CAS
5312-37-8- Standard SMILES
N#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccccc1Cl- InChIKey
ODOXBXUEZFILKR-UHFFFAOYSA-N- Molecular formula
- C19H15ClN2OS
- Average molar mass
- 354.9 g/mol
- Monoisotopic mass
- 354.059362
Names & identifiers
- Preferred name
- F1154-0050
- IUPAC
- 6-benzylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Names & synonyms
F1154-00505312-37-8DTXSID00385647RefChem:345369DTXCID60336670332162-46-62-(benzylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrileCambridge id 5312378Oprea1_108126Oprea1_827043SMSSF-0064101MFCD00386240
Show more names
STK095660AKOS000551007AKOS021997714CCG-1109142-(benzylthio)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile6-benzylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrileZINC000000753117ZINC000000753118
Database identifiers
- CAS
5312-37-8- PubChem CID
- 2840965
- DTXSID
DTXSID00385647
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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