1-(4-acetylpiperazin-1-yl)-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Chemical Structure Depiction of
1-(4-acetylpiperazin-1-yl)-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
1-(4-acetylpiperazin-1-yl)-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0852 |
| Compound Name: | 1-(4-acetylpiperazin-1-yl)-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C22 H29 N3 O4 |
| Smiles: | CC(N1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4205 |
| logD: | 1.4205 |
| logSw: | -1.9909 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.671 |
| InChI Key: | ZZAABEBGDSBZEA-UHFFFAOYSA-N |