7-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0930 |
| Compound Name: | 7-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 401.55 |
| Molecular Formula: | C23 H35 N3 O3 |
| Smiles: | CCC1CCCCN1C(CCc1ccc2c(CN(CCO2)C(NC(C)C)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7405 |
| logD: | 3.7405 |
| logSw: | -3.811 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.987 |
| InChI Key: | RUVRHQURVSIXJL-FQEVSTJZSA-N |