7-[(benzyloxy)methyl]-4-(3,5-difluorobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-[(benzyloxy)methyl]-4-(3,5-difluorobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-[(benzyloxy)methyl]-4-(3,5-difluorobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | M012-0790 |
| Compound Name: | 7-[(benzyloxy)methyl]-4-(3,5-difluorobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C23 H21 F2 N O4 S |
| Smiles: | C1COc2ccc(COCc3ccccc3)cc2CN1S(c1cc(cc(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7925 |
| logD: | 4.7925 |
| logSw: | -4.9957 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.056 |
| InChI Key: | SMUTULGZGDISRT-UHFFFAOYSA-N |