1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one
1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | T634-0071 |
| Compound Name: | 1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 372.48 |
| Molecular Formula: | C20 H24 N2 O3 S |
| Smiles: | C(C(N1CCOc2ccc(CN3CCOCC3)cc2C1)=O)c1ccsc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3427 |
| logD: | 2.2808 |
| logSw: | -2.7837 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.963 |
| InChI Key: | JGHUHRRMWLEGLT-UHFFFAOYSA-N |