(3S)-7-(4-fluorophenyl)-3-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-7-(4-fluorophenyl)-3-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-7-(4-fluorophenyl)-3-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0009 |
| Compound Name: | (3S)-7-(4-fluorophenyl)-3-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 437.51 |
| Molecular Formula: | C26 H28 F N O4 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1Cc1cc(c(c(c1)OC)OC)OC)c1ccc(cc1)F |
| Stereo: | ABSOLUTE |
| logP: | 5.3998 |
| logD: | 2.7878 |
| logSw: | -5.6795 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.57 |
| InChI Key: | CABMKGVKLOWVRT-QGZVFWFLSA-N |