2-(4-methylphenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-methylphenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(4-methylphenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC09-0248 |
| Compound Name: | 2-(4-methylphenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C23 H23 N3 O2 |
| Smiles: | Cc1ccc(CC(N2Cc3cc(ccc3OC[C@@H]2C)c2cncnc2)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.5398 |
| logD: | 3.5398 |
| logSw: | -3.3132 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.565 |
| InChI Key: | SCYULJQTSSXRHH-KRWDZBQOSA-N |