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 |