N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | 4577-1447 |
| Compound Name: | N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C18 H21 N O4 S2 |
| Smiles: | Cc1cccc(CSCCNS(c2ccc3c(c2)OCCO3)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3707 |
| logD: | 3.3707 |
| logSw: | -3.5801 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.661 |
| InChI Key: | JSYCEXVTPJVIQX-UHFFFAOYSA-N |