3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-0272 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-methylpiperazin-1-yl)propan-1-one |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C21 H29 N3 O3 |
| Smiles: | CN1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5964 |
| logD: | 1.3494 |
| logSw: | -2.1085 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.952 |
| InChI Key: | GIVZKFRKNFKQSM-UHFFFAOYSA-N |