(3S)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0359 |
| Compound Name: | (3S)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C20 H23 N5 O |
| Smiles: | Cc1c(CN2Cc3cc(ccc3OC[C@@H]2C)c2cncnc2)cnn1C |
| Stereo: | ABSOLUTE |
| logP: | 1.8033 |
| logD: | -1.8869 |
| logSw: | -1.8413 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.829 |
| InChI Key: | XHHWYOWDOVPXIJ-AWEZNQCLSA-N |