N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | 4577-2451 |
| Compound Name: | N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 413.51 |
| Molecular Formula: | C21 H19 N O4 S2 |
| Smiles: | C1COc2cc(ccc2O1)S(Nc1ccc(CSc2ccccc2)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3705 |
| logD: | 3.3698 |
| logSw: | -3.5507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.44 |
| InChI Key: | DKAVWNBAASRBMS-UHFFFAOYSA-N |