3-[4-(1-ethyl-1H-pyrazole-3-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-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2711 |
| Compound Name: | 3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C22 H28 N4 O4 |
| Smiles: | CCn1ccc(C(N2CCOc3ccc(CCC(N4CCOCC4)=O)cc3C2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.102 |
| logD: | 1.102 |
| logSw: | -2.0114 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.245 |
| InChI Key: | JZXHNAVWSWBWDR-UHFFFAOYSA-N |