2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M459-2908 |
| Compound Name: | 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 406.93 |
| Molecular Formula: | C19 H23 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSc1nccc(n1)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8257 |
| logD: | 4.8255 |
| logSw: | -4.9573 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.719 |
| InChI Key: | IFBPPZVEIACRDA-UHFFFAOYSA-N |