4-(benzenesulfonyl)-7-{[(3-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
4-(benzenesulfonyl)-7-{[(3-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
4-(benzenesulfonyl)-7-{[(3-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | M012-0452 |
| Compound Name: | 4-(benzenesulfonyl)-7-{[(3-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 427.49 |
| Molecular Formula: | C23 H22 F N O4 S |
| Smiles: | C1COc2ccc(COCc3cccc(c3)F)cc2CN1S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5286 |
| logD: | 4.5286 |
| logSw: | -4.4594 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.056 |
| InChI Key: | OXGAYLQXEJTPQN-UHFFFAOYSA-N |