methyl 5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
methyl 5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5543-0028 |
| Compound Name: | methyl 5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C25 H24 F N3 O3 S |
| Smiles: | CCc1ccccc1NC(CSC1=C(C#N)C(C(=C(C)N1)C(=O)OC)c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6644 |
| logD: | 1.8568 |
| logSw: | -4.3033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.456 |
| InChI Key: | OTSYPYZCYKTGLC-QHCPKHFHSA-N |