N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
Chemical Structure Depiction of
N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
Compound characteristics
| Compound ID: | G675-1081 |
| Compound Name: | N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide |
| Molecular Weight: | 416.84 |
| Molecular Formula: | C18 H13 Cl N4 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3482 |
| logD: | 3.2952 |
| logSw: | -3.6562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.363 |
| InChI Key: | GRTBGLQWKFJVMW-UHFFFAOYSA-N |