1-{7-[(azepan-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-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | T634-0518 |
| Compound Name: | 1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C22 H28 N2 O2 S |
| Smiles: | C1CCCN(CC1)Cc1ccc2c(CN(CCO2)C(Cc2ccsc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9456 |
| logD: | 2.3396 |
| logSw: | -3.9019 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.3855 |
| InChI Key: | TUBJCGQNJDJBJY-UHFFFAOYSA-N |