methyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
methyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5543-0027 |
| Compound Name: | methyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C23 H20 F N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccccc1)=O)c1ccccc1F)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9731 |
| logD: | 1.1655 |
| logSw: | -4.098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.154 |
| InChI Key: | DPNIAXQEQVPJSJ-NRFANRHFSA-N |