N-(2H-1,3-benzodioxol-5-yl)-5-{[(thiophene-2-carbonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(thiophene-2-carbonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(thiophene-2-carbonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0663 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(thiophene-2-carbonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C16 H12 N4 O4 S2 |
| Smiles: | C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.323 |
| logD: | 2.3221 |
| logSw: | -3.0289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.876 |
| InChI Key: | XMEMIJKYAKNJAM-UHFFFAOYSA-N |