2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G856-6402 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide |
| Molecular Weight: | 434.94 |
| Molecular Formula: | C20 H23 Cl N4 O3 S |
| Smiles: | CN1C(=NC=C(C(Nc2ccc(cc2)[Cl])=O)C1=O)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7158 |
| logD: | 0.5103 |
| logSw: | -3.6246 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.612 |
| InChI Key: | RCFVBRSCUNKPEI-UHFFFAOYSA-N |