N-ethyl-7-{3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-ethyl-7-{3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-ethyl-7-{3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0453 |
| Compound Name: | N-ethyl-7-{3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C23 H36 N4 O3 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(N3CCN(CC3)CC(C)C)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4285 |
| logD: | 2.0882 |
| logSw: | -2.837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.804 |
| InChI Key: | GGVVHUHRTRSWBR-UHFFFAOYSA-N |