(3S)-3-methyl-4-[(5-methylthiophen-2-yl)methyl]-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-3-methyl-4-[(5-methylthiophen-2-yl)methyl]-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-3-methyl-4-[(5-methylthiophen-2-yl)methyl]-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0256 |
| Compound Name: | (3S)-3-methyl-4-[(5-methylthiophen-2-yl)methyl]-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C20 H21 N3 O S |
| Smiles: | Cc1ccc(CN2Cc3cc(ccc3OC[C@@H]2C)c2cncnc2)s1 |
| Stereo: | ABSOLUTE |
| logP: | 3.6828 |
| logD: | 2.8059 |
| logSw: | -3.8024 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.361 |
| InChI Key: | BYTIIMMRZJLROA-AWEZNQCLSA-N |