(3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0228 |
| Compound Name: | (3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | Cc1cc(CN2Cc3cc(ccc3OC[C@H]2C)c2cncnc2)ccc1OC |
| Stereo: | ABSOLUTE |
| logP: | 3.737 |
| logD: | 3.4213 |
| logSw: | -3.9261 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.973 |
| InChI Key: | LKBXAAFRGZRIPL-QGZVFWFLSA-N |