N-(2H-1,3-benzodioxol-5-yl)-5-{[2-(3-methylphenyl)acetamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[2-(3-methylphenyl)acetamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[2-(3-methylphenyl)acetamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0687 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[2-(3-methylphenyl)acetamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | Cc1cccc(CC(NCc2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0656 |
| logD: | 3.0647 |
| logSw: | -3.3152 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.644 |
| InChI Key: | WZWJIFYKLGXACR-UHFFFAOYSA-N |