7-{3-oxo-3-[4-(pentan-3-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-{3-oxo-3-[4-(pentan-3-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-{3-oxo-3-[4-(pentan-3-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0951 |
| Compound Name: | 7-{3-oxo-3-[4-(pentan-3-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 444.62 |
| Molecular Formula: | C25 H40 N4 O3 |
| Smiles: | CCC(CC)N1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(NC(C)C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4074 |
| logD: | 2.8346 |
| logSw: | -3.5742 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.374 |
| InChI Key: | NIQKFVDKHNKVEE-UHFFFAOYSA-N |