7-{3-[benzyl(ethyl)amino]-3-oxopropyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-{3-[benzyl(ethyl)amino]-3-oxopropyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-{3-[benzyl(ethyl)amino]-3-oxopropyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0553 |
| Compound Name: | 7-{3-[benzyl(ethyl)amino]-3-oxopropyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C25 H33 N3 O3 |
| Smiles: | CCN(Cc1ccccc1)C(CCc1ccc2c(CN(CCO2)C(NC(C)C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8972 |
| logD: | 3.8972 |
| logSw: | -3.8217 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.628 |
| InChI Key: | WMQBDTJRZZXTNK-UHFFFAOYSA-N |