ethyl 5-cyano-6-[(3-cyanopropyl)sulfanyl]-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-[(3-cyanopropyl)sulfanyl]-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-6-[(3-cyanopropyl)sulfanyl]-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | D360-2280 |
| Compound Name: | ethyl 5-cyano-6-[(3-cyanopropyl)sulfanyl]-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C24 H23 N3 O2 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCCCC#N)c1c(C)ccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4828 |
| logD: | -0.1917 |
| logSw: | -4.1201 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.595 |
| InChI Key: | CKHLCGZTPANAPD-LJQANCHMSA-N |