N-{[4-([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-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-{[4-([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: | J011-0094 |
| Compound Name: | N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 379.4 |
| Molecular Formula: | C18 H13 N5 O3 S |
| Smiles: | C(c1ccc(cc1)c1nn2cnnc2s1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0383 |
| logD: | 2.0383 |
| logSw: | -2.8403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.173 |
| InChI Key: | XMBDLHNGLBTKSV-UHFFFAOYSA-N |