1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one
1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | T634-0663 |
| Compound Name: | 1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 370.51 |
| Molecular Formula: | C21 H26 N2 O2 S |
| Smiles: | C1CCN(CC1)Cc1ccc2c(CN(CCO2)C(Cc2ccsc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4497 |
| logD: | 1.8186 |
| logSw: | -3.5285 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.0545 |
| InChI Key: | OPNSKPSOLHXUEP-UHFFFAOYSA-N |