[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-3-yl)methanone
Chemical Structure Depiction of
[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-3-yl)methanone
[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-3-yl)methanone
Compound characteristics
| Compound ID: | SC09-0517 |
| Compound Name: | [(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-3-yl)methanone |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C20 H18 N2 O2 S |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(c1ccsc1)=O)c1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.8201 |
| logD: | 3.8133 |
| logSw: | -3.7537 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.879 |
| InChI Key: | BZJKPADQWUYOOU-AWEZNQCLSA-N |