2-(3-methylphenoxy)-1-[(3S)-3-methyl-7-(pyridin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenoxy)-1-[(3S)-3-methyl-7-(pyridin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3-methylphenoxy)-1-[(3S)-3-methyl-7-(pyridin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC09-0437 |
| Compound Name: | 2-(3-methylphenoxy)-1-[(3S)-3-methyl-7-(pyridin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C24 H24 N2 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1Cc2cc(ccc2OC[C@@H]1C)c1ccncc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.4506 |
| logD: | 4.4452 |
| logSw: | -4.4241 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.742 |
| InChI Key: | WHFRRMXJQXNJDQ-SFHVURJKSA-N |