(3S)-3-methyl-4-({4-[(propan-2-yl)oxy]phenyl}methyl)-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-3-methyl-4-({4-[(propan-2-yl)oxy]phenyl}methyl)-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-3-methyl-4-({4-[(propan-2-yl)oxy]phenyl}methyl)-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0341 |
| Compound Name: | (3S)-3-methyl-4-({4-[(propan-2-yl)oxy]phenyl}methyl)-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C24 H27 N3 O2 |
| Smiles: | CC(C)Oc1ccc(CN2Cc3cc(ccc3OC[C@@H]2C)c2cncnc2)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.9972 |
| logD: | 3.8149 |
| logSw: | -4.0121 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.145 |
| InChI Key: | ZOVXDCZAHIELIX-SFHVURJKSA-N |