N-(2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide
Compound characteristics
| Compound ID: | Y042-4109 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide |
| Molecular Weight: | 355.37 |
| Molecular Formula: | C17 H13 N3 O4 S |
| Smiles: | COc1ccc(cc1)c1c(C(Nc2ccc3c(c2)OCO3)=O)snn1 |
| Stereo: | ACHIRAL |
| logP: | 3.1646 |
| logD: | 3.1642 |
| logSw: | -3.5794 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.354 |
| InChI Key: | MDIPTJKNOQRGGH-UHFFFAOYSA-N |