prop-2-en-1-yl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate--morpholine (1/1)
Chemical Structure Depiction of
prop-2-en-1-yl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate--morpholine (1/1)
prop-2-en-1-yl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate--morpholine (1/1)
Compound characteristics
| Compound ID: | 3132-0141 |
| Compound Name: | prop-2-en-1-yl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate--morpholine (1/1) |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C15 H14 N2 O2 S2 |
| Salt: | O(CH2CH2)2NH |
| Smiles: | CC1=C(C(C(C#N)=C(N1)S)c1cccs1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5821 |
| logD: | -1.7445 |
| logSw: | -3.0002 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.56 |
| InChI Key: | ZCNUWAHXHFHFBQ-ZDUSSCGKSA-N |