3-{4-[(benzyloxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[(benzyloxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-yl)propan-1-one
3-{4-[(benzyloxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2401 |
| Compound Name: | 3-{4-[(benzyloxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C25 H30 N2 O4 |
| Smiles: | C1CCN(C1)C(CCc1ccc2c(CN(CCO2)C(COCc2ccccc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0238 |
| logD: | 3.0238 |
| logSw: | -3.163 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.225 |
| InChI Key: | OLWQJJNBEVKYHN-UHFFFAOYSA-N |