N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | J011-0246 |
| Compound Name: | N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C19 H15 N5 O3 S |
| Smiles: | Cc1nnc2n1nc(c1ccc(CNC(c3ccc4c(c3)OCO4)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.0927 |
| logD: | 2.0927 |
| logSw: | -2.9245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.299 |
| InChI Key: | TZYVFHYKVZZXER-UHFFFAOYSA-N |