ethyl 4-(2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M459-2854 |
| Compound Name: | ethyl 4-(2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nccc(n1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9165 |
| logD: | 4.9164 |
| logSw: | -4.4156 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.842 |
| InChI Key: | YYELRXXKDNVULT-UHFFFAOYSA-N |