3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
Compound characteristics
| Compound ID: | S629-0331 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C21 H26 N4 O3 |
| Smiles: | Cc1c(CNC(CCc2ccc3c(CN(CCO3)C(C3CC3)=O)c2)=O)cn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.1706 |
| logD: | 2.1706 |
| logSw: | -2.7078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.822 |
| InChI Key: | KXDNJCLIDFYNKV-UHFFFAOYSA-N |