N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(4-methoxyphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(4-methoxyphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(4-methoxyphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G856-9838 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(4-methoxyphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C19 H17 N5 O5 S2 |
| Smiles: | COc1ccc(cc1)NC(Nc1nnc(SCC(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1906 |
| logD: | 4.1904 |
| logSw: | -4.3211 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.984 |
| InChI Key: | SGNYAWBAKJTPCQ-UHFFFAOYSA-N |