(3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0346 |
| Compound Name: | (3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | Cc1c(CN2Cc3cc(ccc3OC[C@@H]2C)c2cncnc2)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 2.435 |
| logD: | 0.8736 |
| logSw: | -2.4831 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.38 |
| InChI Key: | JLIVENJXUYCJIY-ZDUSSCGKSA-N |