prop-2-en-1-yl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5608-0101 |
| Compound Name: | prop-2-en-1-yl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 403.89 |
| Molecular Formula: | C19 H18 Cl N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(N)=O)c1ccc(cc1)[Cl])C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7387 |
| logD: | 0.0252 |
| logSw: | -3.8378 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.538 |
| InChI Key: | BBCHWQXTNVDKAA-QGZVFWFLSA-N |