7-{3-oxo-3-[4-(prop-2-en-1-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-(prop-2-en-1-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-{3-oxo-3-[4-(prop-2-en-1-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0593 |
| Compound Name: | 7-{3-oxo-3-[4-(prop-2-en-1-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C23 H34 N4 O3 |
| Smiles: | CC(C)NC(N1CCOc2ccc(CCC(N3CCN(CC3)CC=C)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3458 |
| logD: | 2.261 |
| logSw: | -2.8662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.131 |
| InChI Key: | DZXGRMRJSZIFIM-UHFFFAOYSA-N |