(3S)-4-(5-fluoro-2-methylbenzene-1-sulfonyl)-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-(5-fluoro-2-methylbenzene-1-sulfonyl)-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-(5-fluoro-2-methylbenzene-1-sulfonyl)-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0280 |
| Compound Name: | (3S)-4-(5-fluoro-2-methylbenzene-1-sulfonyl)-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C21 H20 F N3 O3 S |
| Smiles: | Cc1ccc(cc1S(N1Cc2cc(ccc2OC[C@@H]1C)c1cncnc1)(=O)=O)F |
| Stereo: | ABSOLUTE |
| logP: | 3.4312 |
| logD: | 3.4312 |
| logSw: | -3.4828 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.932 |
| InChI Key: | DWZIDQLCPRZQTN-HNNXBMFYSA-N |