1-[4-(butan-2-yl)piperazin-1-yl]-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(butan-2-yl)piperazin-1-yl]-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
1-[4-(butan-2-yl)piperazin-1-yl]-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0872 |
| Compound Name: | 1-[4-(butan-2-yl)piperazin-1-yl]-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C24 H35 N3 O3 |
| Smiles: | CCC(C)N1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.869 |
| logD: | 2.3098 |
| logSw: | -3.0863 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.924 |
| InChI Key: | CVTYAPFHRIUIFT-SFHVURJKSA-N |