7-[(benzyloxy)methyl]-4-(3-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-[(benzyloxy)methyl]-4-(3-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-[(benzyloxy)methyl]-4-(3-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | M012-0779 |
| Compound Name: | 7-[(benzyloxy)methyl]-4-(3-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C24 H25 N O4 S |
| Smiles: | Cc1cccc(c1)S(N1CCOc2ccc(COCc3ccccc3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9664 |
| logD: | 4.9664 |
| logSw: | -4.8048 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.056 |
| InChI Key: | CWGFEPOUUMRFDY-UHFFFAOYSA-N |