3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0120 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C22 H33 N3 O3 |
| Smiles: | CC(C)CN1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1645 |
| logD: | 1.8242 |
| logSw: | -2.5604 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.503 |
| InChI Key: | WHUVPUPROLMGOU-UHFFFAOYSA-N |