3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide
Compound characteristics
| Compound ID: | S629-0151 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | CCn1cc(CN(C)C(CCc2ccc3c(CN(CCO3)C(C)=O)c2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7411 |
| logD: | 1.7411 |
| logSw: | -2.0676 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.048 |
| InChI Key: | WHICCEWZCCXPCR-UHFFFAOYSA-N |