Basic information
- Standard SMILES
COc1cc(C#N)ccc1C1C(C#N)=C(C)NC(C)=C1c1nc2ccccc2s1- InChIKey
HAZNDTLKLZOEHC-UHFFFAOYSA-N- Molecular formula
- C23H18N4OS
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- 5-(1,3-Benzothiazol-2-yl)-4-(4-cyano-2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile
- IUPAC
- 5-(1,3-benzothiazol-2-yl)-4-(4-cyano-2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile
Names & synonyms
SCHEMBL1398200HAZNDTLKLZOEHC-UHFFFAOYSA-N5-(1,3-benzothiazol-2-yl)-4-(4-cyano-2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 67017994
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 815
Related reactions
1 records
Compound notes
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