2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M459-2826 |
| Compound Name: | 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CSc1nccc(n1)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6957 |
| logD: | 3.6954 |
| logSw: | -3.8592 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.066 |
| InChI Key: | INKUVUXYDSPBSQ-UHFFFAOYSA-N |