2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-N-(3,4-dimethylphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-N-(3,4-dimethylphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-N-(3,4-dimethylphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G856-6430 |
| Compound Name: | 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-N-(3,4-dimethylphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(C1=CN=C(N(C)C1=O)SCC(N1CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7838 |
| logD: | 3.2763 |
| logSw: | -3.8582 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.945 |
| InChI Key: | VLLSUIKZYWFODA-UHFFFAOYSA-N |