ethyl 4-(2-{[6-(azepan-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[6-(azepan-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[6-(azepan-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F814-2354 |
| Compound Name: | ethyl 4-(2-{[6-(azepan-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1ccc(nn1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4679 |
| logD: | 4.4676 |
| logSw: | -3.9901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.221 |
| InChI Key: | OPSIKRFVVNHLSB-UHFFFAOYSA-N |