N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | 4577-2232 |
| Compound Name: | N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C22 H21 N O4 S2 |
| Smiles: | Cc1cc(CSc2ccccc2)ccc1NS(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8496 |
| logD: | 3.8484 |
| logSw: | -3.8769 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.742 |
| InChI Key: | PYYRHQVBCNQNAD-UHFFFAOYSA-N |