3-methoxy-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
Chemical Structure Depiction of
3-methoxy-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
3-methoxy-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S555-0217 |
| Compound Name: | 3-methoxy-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one |
| Molecular Weight: | 304.39 |
| Molecular Formula: | C17 H24 N2 O3 |
| Smiles: | COCCC(N1CCOc2ccc(cc2C1)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9434 |
| logD: | 1.9432 |
| logSw: | -2.5209 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.736 |
| InChI Key: | KQXQIVNLHORZJD-UHFFFAOYSA-N |