N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4-dimethoxybenzamide
N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | G952-2211 |
| Compound Name: | N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4-dimethoxybenzamide |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C16 H19 N5 O3 S |
| Smiles: | CCCCc1nnc2n1nc(NC(c1ccc(c(c1)OC)OC)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.4573 |
| logD: | 2.3975 |
| logSw: | -3.0258 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.634 |
| InChI Key: | QOXLZPRQEDWMKK-UHFFFAOYSA-N |