3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(prop-2-en-1-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-(prop-2-en-1-yl)piperazin-1-yl]propan-1-one
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(prop-2-en-1-yl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0301 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(prop-2-en-1-yl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | C=CCN1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1977 |
| logD: | 2.1129 |
| logSw: | -2.5696 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.265 |
| InChI Key: | MAVWBQUHYKQWMP-UHFFFAOYSA-N |