N-(2H-1,3-benzodioxol-5-yl)-5-[(2-methylbenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[(2-methylbenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[(2-methylbenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0674 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[(2-methylbenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C19 H16 N4 O4 S |
| Smiles: | Cc1ccccc1C(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0048 |
| logD: | 3.0039 |
| logSw: | -3.4778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.858 |
| InChI Key: | OIIBLMNPZIOPLU-UHFFFAOYSA-N |