ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | D360-2267 |
| Compound Name: | ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 495.66 |
| Molecular Formula: | C26 H29 N3 O3 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(NC(C)(C)C)=O)c1c(C)ccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2746 |
| logD: | 0.6156 |
| logSw: | -5.1765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.399 |
| InChI Key: | XPYVITOHLGBGQI-HXUWFJFHSA-N |