1-[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(pyridin-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(pyridin-3-yl)ethan-1-one
1-[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC09-0278 |
| Compound Name: | 1-[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | C[C@@H]1COc2ccc(cc2CN1C(Cc1cccnc1)=O)c1cncnc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.829 |
| logD: | 1.8205 |
| logSw: | -1.5236 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.083 |
| InChI Key: | FGKJTQFCXPZPAU-OAHLLOKOSA-N |