Cambridge id 5691247
Basic information
- CAS
5691-24-7- Standard SMILES
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)C1c1cccs1- InChIKey
KUGZSYYNUKQTCC-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2O2S2
- Average molar mass
- 429 g/mol
- Monoisotopic mass
- 428.0419978
Names & identifiers
- Preferred name
- Cambridge id 5691247
- IUPAC
- 5-acetyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile
Names & synonyms
5691-24-7AC1MEWMVCambridge id 5691247DTXSID40386411AB00093699-015-Acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
5691-24-7- PubChem CID
- 2862277
- DTXSID
DTXSID40386411
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 760
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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