N-(2H-1,3-benzodioxol-5-yl)-5-{[(3,4-dimethylphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(3,4-dimethylphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(3,4-dimethylphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0581 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(3,4-dimethylphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H19 N5 O4 S |
| Smiles: | Cc1ccc(cc1C)NC(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6767 |
| logD: | 3.6758 |
| logSw: | -3.8576 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.07 |
| InChI Key: | VCCOXDITQZQMMO-UHFFFAOYSA-N |