3-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
3-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
3-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1439 |
| Compound Name: | 3-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | Cc1cc(C(N2CCOc3ccc(CCC(N)=O)cc3C2)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 0.7471 |
| logD: | 0.7471 |
| logSw: | -1.69 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.705 |
| InChI Key: | ABAQQNOPNKZDCN-UHFFFAOYSA-N |