5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F736-0256 |
Compound Name: | 5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 458.51 |
Molecular Formula: | C20 H18 N4 O5 S2 |
Smiles: | COc1ccc(cc1)NC(c1nnc(SCC(NCc2ccc3c(c2)OCO3)=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 3.0499 |
logD: | 3.0499 |
logSw: | -3.5782 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 95.054 |
InChI Key: | SSUHFSNNKPUPTJ-UHFFFAOYSA-N |