methyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetate
methyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 2699-0416 |
| Compound Name: | methyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C22 H21 N3 O3 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(=O)OC)c1cccs1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2337 |
| logD: | 2.3926 |
| logSw: | -3.416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.093 |
| InChI Key: | HIQXQUOLQSNLPE-FQEVSTJZSA-N |