2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-methyl-N-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-methyl-N-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-methyl-N-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G856-6410 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-methyl-N-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1)NC(C1=CN=C(N(C)C1=O)SCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5445 |
| logD: | 1.9044 |
| logSw: | -2.8309 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.612 |
| InChI Key: | RQUJWTUNMBDATC-UHFFFAOYSA-N |