tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4356 |
| Compound Name: | tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 503.06 |
| Molecular Formula: | C29 H27 Cl N2 O2 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCc1cccc2ccccc12)c1ccc(cc1)[Cl])C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5449 |
| logD: | 4.8383 |
| logSw: | -6.8165 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.422 |
| InChI Key: | DAZYEPGVUDQXCA-AREMUKBSSA-N |