Basic information
- Standard SMILES
CCOC(=O)C1=C(C)NC(SC)=NC1c1cccc(Cl)c1- InChIKey
FQOHDXDEHHIANE-UHFFFAOYSA-N- Molecular formula
- C15H17ClN2O2S
- Average molar mass
- 324.8 g/mol
Names & identifiers
- Preferred name
- 4-(3-Chlorophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethylester
- IUPAC
- ethyl 4-(3-chlorophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
Names & synonyms
SCHEMBL4514711FQOHDXDEHHIANE-UHFFFAOYSA-N4-(3-chlorophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethylester
Database identifiers
- PubChem CID
- 69074904
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 465
Related reactions
4 records
Compound notes
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