[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](pyrimidin-4-yl)methanone
Chemical Structure Depiction of
[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](pyrimidin-4-yl)methanone
[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](pyrimidin-4-yl)methanone
Compound characteristics
| Compound ID: | SC09-0543 |
| Compound Name: | [(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](pyrimidin-4-yl)methanone |
| Molecular Weight: | 346.39 |
| Molecular Formula: | C20 H18 N4 O2 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(c1ccncn1)=O)c1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.2863 |
| logD: | 2.2794 |
| logSw: | -2.3301 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.05 |
| InChI Key: | PVLNNULZUBMARX-AWEZNQCLSA-N |