2-(3,5-dimethoxyphenyl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethoxyphenyl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3,5-dimethoxyphenyl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | M400-0366 |
| Compound Name: | 2-(3,5-dimethoxyphenyl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C24 H28 N2 O5 |
| Smiles: | COc1cc(CC(N2CCOc3ccc(cc3C2)C(N2CCCC2)=O)=O)cc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9219 |
| logD: | 2.9219 |
| logSw: | -3.1844 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.405 |
| InChI Key: | CRVIBRWCJMIUSE-UHFFFAOYSA-N |