N-(4-chlorophenyl)-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
N-(4-chlorophenyl)-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G856-6405 |
| Compound Name: | N-(4-chlorophenyl)-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C23 H21 Cl N4 O3 S |
| Smiles: | CN1C(=NC=C(C(Nc2ccc(cc2)[Cl])=O)C1=O)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3911 |
| logD: | 1.1856 |
| logSw: | -3.945 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.945 |
| InChI Key: | IRERULQXUABTDQ-UHFFFAOYSA-N |