ethyl 6-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
ethyl 6-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0289 |
| Compound Name: | ethyl 6-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 497.68 |
| Molecular Formula: | C26 H31 N3 O3 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1C)SCC(NC12CC3CC(CC(C3)C2)C1)=O)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8386 |
| logD: | 1.7157 |
| logSw: | -4.4965 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.77 |
| InChI Key: | IJXNMGMTPWAOIV-UCWRNDPWSA-N |