tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4473 |
| Compound Name: | tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 524.08 |
| Molecular Formula: | C28 H30 Cl N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)cc1C)=O)c1ccc(cc1)[Cl])C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1954 |
| logD: | 3.2248 |
| logSw: | -6.3959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.145 |
| InChI Key: | QRCQMDZUNDOFMI-RUZDIDTESA-N |