1-(4-cyclohexylpiperazin-1-yl)-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Chemical Structure Depiction of
1-(4-cyclohexylpiperazin-1-yl)-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
1-(4-cyclohexylpiperazin-1-yl)-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0240 |
| Compound Name: | 1-(4-cyclohexylpiperazin-1-yl)-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one |
| Molecular Weight: | 439.6 |
| Molecular Formula: | C26 H37 N3 O3 |
| Smiles: | C1CCC(CC1)N1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4354 |
| logD: | 3.1368 |
| logSw: | -3.4236 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.568 |
| InChI Key: | VDTBXYHZHYPBML-UHFFFAOYSA-N |