tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(naphthalen-2-yl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(naphthalen-2-yl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(naphthalen-2-yl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8011-7388 |
| Compound Name: | tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(naphthalen-2-yl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 546.09 |
| Molecular Formula: | C30 H28 Cl N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc2ccccc2c1)=O)c1ccc(cc1)[Cl])C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9285 |
| logD: | 3.958 |
| logSw: | -6.6833 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.571 |
| InChI Key: | WLHONIREPFARLX-HHHXNRCGSA-N |