2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | M400-0380 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C21 H26 N4 O3 |
| Smiles: | Cc1cc(C)n(CC(N2CCOc3ccc(cc3C2)C(N2CCCC2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.024 |
| logD: | 1.024 |
| logSw: | -1.9729 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.325 |
| InChI Key: | LLEFTLNEAJIIOY-UHFFFAOYSA-N |