2-phenoxy-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-phenoxy-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-phenoxy-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S555-0251 |
| Compound Name: | 2-phenoxy-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C21 H24 N2 O3 |
| Smiles: | C1CCN(C1)c1ccc2c(CN(CCO2)C(COc2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2229 |
| logD: | 3.2227 |
| logSw: | -3.2148 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.621 |
| InChI Key: | JVALMEGIUBHQRX-UHFFFAOYSA-N |