methyl 5-cyano-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
methyl 5-cyano-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8019-5275 |
| Compound Name: | methyl 5-cyano-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C19 H17 N3 O2 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCc1cccnc1)c1cccs1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8779 |
| logD: | 0.0984 |
| logSw: | -2.9876 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.541 |
| InChI Key: | YHGSNLBWZAHKLS-KRWDZBQOSA-N |