7-[(benzyloxy)methyl]-4-(5-fluoro-2-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-[(benzyloxy)methyl]-4-(5-fluoro-2-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-[(benzyloxy)methyl]-4-(5-fluoro-2-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | M012-0772 |
| Compound Name: | 7-[(benzyloxy)methyl]-4-(5-fluoro-2-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 441.52 |
| Molecular Formula: | C24 H24 F N O4 S |
| Smiles: | Cc1ccc(cc1S(N1CCOc2ccc(COCc3ccccc3)cc2C1)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.9385 |
| logD: | 4.9385 |
| logSw: | -4.7892 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.056 |
| InChI Key: | BXMXJEMENZTMTK-UHFFFAOYSA-N |