methyl 6-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
methyl 6-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8009-8878 |
| Compound Name: | methyl 6-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 468.64 |
| Molecular Formula: | C25 H28 N2 O3 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(C12CC3CC(CC(C3)C2)C1)=O)c1cccs1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.489 |
| logD: | 2.3661 |
| logSw: | -5.4388 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.303 |
| InChI Key: | CDIMGDMBXZATEM-QNWAOAGUSA-N |