4-(3-fluorobenzene-1-sulfonyl)-7-{[(2-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
4-(3-fluorobenzene-1-sulfonyl)-7-{[(2-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
4-(3-fluorobenzene-1-sulfonyl)-7-{[(2-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | M012-0632 |
| Compound Name: | 4-(3-fluorobenzene-1-sulfonyl)-7-{[(2-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C23 H21 F2 N O4 S |
| Smiles: | C1COc2ccc(COCc3ccccc3F)cc2CN1S(c1cccc(c1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8663 |
| logD: | 4.8663 |
| logSw: | -4.9441 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.056 |
| InChI Key: | OTRAGVQKLPRQQN-UHFFFAOYSA-N |