2-(3-methyl-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-methyl-1H-pyrazol-1-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3-methyl-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: | M400-0414 |
| Compound Name: | 2-(3-methyl-1H-pyrazol-1-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 368.43 |
| Molecular Formula: | C20 H24 N4 O3 |
| Smiles: | Cc1ccn(CC(N2CCOc3ccc(cc3C2)C(N2CCCC2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.9507 |
| logD: | 0.9507 |
| logSw: | -1.6279 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.785 |
| InChI Key: | PDXDLIPUKUFXOH-UHFFFAOYSA-N |