7-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0549 |
| Compound Name: | 7-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C22 H34 N4 O3 |
| Smiles: | CCN1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(NC(C)C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0891 |
| logD: | 1.7687 |
| logSw: | -2.8119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.877 |
| InChI Key: | XGDVMDOJFSIGGU-UHFFFAOYSA-N |