N-(2H-1,3-benzodioxol-5-yl)-5-[(2-methylpropanamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[(2-methylpropanamido)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[(2-methylpropanamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0660 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[(2-methylpropanamido)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C15 H16 N4 O4 S |
| Smiles: | CC(C)C(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.644 |
| logD: | 1.6431 |
| logSw: | -2.5903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.129 |
| InChI Key: | OHHIXLVQPATJGE-UHFFFAOYSA-N |