ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0290 |
| Compound Name: | ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C20 H25 N3 O3 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1C)SCC(NC(C)(C)C)=O)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4163 |
| logD: | 0.2934 |
| logSw: | -3.4706 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.169 |
| InChI Key: | VHVLYUBBNKGLND-KRWDZBQOSA-N |