tert-butyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
tert-butyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
Compound ID: | 8011-0144 |
Compound Name: | tert-butyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate |
Molecular Weight: | 419.93 |
Molecular Formula: | C20 H22 Cl N3 O3 S |
Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(N)=O)c1ccc(cc1)[Cl])C(=O)OC(C)(C)C |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5517 |
logD: | 0.5811 |
logSw: | -4.6094 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 80.353 |
InChI Key: | QQVFOHLJCYEOCP-QGZVFWFLSA-N |