7-[(benzyloxy)methyl]-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-[(benzyloxy)methyl]-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-[(benzyloxy)methyl]-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
Compound ID: | M012-0736 |
Compound Name: | 7-[(benzyloxy)methyl]-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
Molecular Weight: | 441.52 |
Molecular Formula: | C24 H24 F N O4 S |
Smiles: | Cc1cc(ccc1F)S(N1CCOc2ccc(COCc3ccccc3)cc2C1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.0369 |
logD: | 5.0369 |
logSw: | -4.8711 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 48.056 |
InChI Key: | OZELBQBSYYBLEB-UHFFFAOYSA-N |