3-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
3-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2717 |
| Compound Name: | 3-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | Cn1cc(cn1)C(N1CCOc2ccc(CCC(N3CCOCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4651 |
| logD: | 0.4651 |
| logSw: | -1.6003 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.669 |
| InChI Key: | JPVBOJBCQZHNJM-UHFFFAOYSA-N |