3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]propanamide
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | S629-0364 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]propanamide |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C24 H32 N4 O3 |
| Smiles: | CC(c1c(C)nn(C)c1C)NC(CCc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0751 |
| logD: | 2.0751 |
| logSw: | -2.9127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.556 |
| InChI Key: | XTNDVECFVBYOGX-HNNXBMFYSA-N |