1-(4-{7-[(benzyloxy)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{7-[(benzyloxy)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl}phenyl)ethan-1-one
1-(4-{7-[(benzyloxy)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | M012-0782 |
| Compound Name: | 1-(4-{7-[(benzyloxy)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl}phenyl)ethan-1-one |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C25 H25 N O5 S |
| Smiles: | CC(c1ccc(cc1)S(N1CCOc2ccc(COCc3ccccc3)cc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0836 |
| logD: | 4.0836 |
| logSw: | -4.294 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.883 |
| InChI Key: | ZJNQLAQMPOWTHJ-UHFFFAOYSA-N |