3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(pentan-3-yl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(pentan-3-yl)piperazin-1-yl]propan-1-one
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(pentan-3-yl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0855 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(pentan-3-yl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 427.59 |
| Molecular Formula: | C25 H37 N3 O3 |
| Smiles: | CCC(CC)N1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2594 |
| logD: | 2.6866 |
| logSw: | -3.1658 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.508 |
| InChI Key: | VKQVBBHDWIIARK-UHFFFAOYSA-N |