N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4,5-trimethoxybenzamide
N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | G952-2281 |
| Compound Name: | N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C17 H21 N5 O4 S |
| Smiles: | CCCCc1nnc2n1nc(NC(c1cc(c(c(c1)OC)OC)OC)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.6139 |
| logD: | 2.5983 |
| logSw: | -3.0755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.351 |
| InChI Key: | MZJITRVAPKUDIJ-UHFFFAOYSA-N |