3-methoxy-1-{7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Chemical Structure Depiction of
3-methoxy-1-{7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
3-methoxy-1-{7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Compound characteristics
| Compound ID: | T634-0192 |
| Compound Name: | 3-methoxy-1-{7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one |
| Molecular Weight: | 318.41 |
| Molecular Formula: | C18 H26 N2 O3 |
| Smiles: | COCCC(N1CCOc2ccc(CN3CCCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5119 |
| logD: | -0.5496 |
| logSw: | -1.9621 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.016 |
| InChI Key: | PHHLPHGFXPNJKT-UHFFFAOYSA-N |