(5-chloro-2-methoxyphenyl)[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Chemical Structure Depiction of
(5-chloro-2-methoxyphenyl)[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
(5-chloro-2-methoxyphenyl)[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Compound characteristics
| Compound ID: | SC09-0266 |
| Compound Name: | (5-chloro-2-methoxyphenyl)[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C22 H20 Cl N3 O3 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(c1cc(ccc1OC)[Cl])=O)c1cncnc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.6027 |
| logD: | 3.6027 |
| logSw: | -3.9748 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.723 |
| InChI Key: | DKISBSIIWDYVGT-AWEZNQCLSA-N |