7-(3-{[2-(1-ethylpiperidin-4-yl)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(3-{[2-(1-ethylpiperidin-4-yl)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(3-{[2-(1-ethylpiperidin-4-yl)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0614 |
| Compound Name: | 7-(3-{[2-(1-ethylpiperidin-4-yl)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 444.62 |
| Molecular Formula: | C25 H40 N4 O3 |
| Smiles: | CCN1CCC(CCNC(CCc2ccc3c(CN(CCO3)C(NC(C)C)=O)c2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.887 |
| logD: | 0.8267 |
| logSw: | -3.3006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.99 |
| InChI Key: | UWJOSGCLWVNXRA-UHFFFAOYSA-N |