7-[(benzyloxy)methyl]-4-(3,5-dimethylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-[(benzyloxy)methyl]-4-(3,5-dimethylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-[(benzyloxy)methyl]-4-(3,5-dimethylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | M012-0785 |
| Compound Name: | 7-[(benzyloxy)methyl]-4-(3,5-dimethylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C25 H27 N O4 S |
| Smiles: | Cc1cc(C)cc(c1)S(N1CCOc2ccc(COCc3ccccc3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2808 |
| logD: | 5.2808 |
| logSw: | -5.3413 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.056 |
| InChI Key: | JRCLERUSGRDHBH-UHFFFAOYSA-N |