3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(pyrimidin-2-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-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0313 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C24 H29 N5 O3 |
| Smiles: | C(Cc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)C(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5782 |
| logD: | 2.5782 |
| logSw: | -2.7355 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.098 |
| InChI Key: | LHANVFWOCRQWMT-UHFFFAOYSA-N |