(3S)-4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0083 |
| Compound Name: | (3S)-4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 416.47 |
| Molecular Formula: | C21 H21 F N2 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1Cc2cc(ccc2OC[C@@H]1C)c1cccc(c1)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1864 |
| logD: | 4.1864 |
| logSw: | -4.3777 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.22 |
| InChI Key: | NTVYUIPSWAUWCU-ZDUSSCGKSA-N |