N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | L349-0667 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}acetamide |
Molecular Weight: | 462.56 |
Molecular Formula: | C20 H18 N2 O5 S3 |
Smiles: | Cc1ccc(cc1)S(c1c(SCC(NCc2ccc3c(c2)OCO3)=O)scn1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9541 |
logD: | 3.9541 |
logSw: | -3.8738 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.228 |
InChI Key: | KIJTUIQXODEZOY-UHFFFAOYSA-N |