3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-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-(pyrrolidin-1-yl)propan-1-one
3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2398 |
| Compound Name: | 3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | CCn1ccc(C(N2CCOc3ccc(CCC(N4CCCC4)=O)cc3C2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0417 |
| logD: | 2.0417 |
| logSw: | -2.4023 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.703 |
| InChI Key: | NBPNRZJOLSNLLK-UHFFFAOYSA-N |