N-[3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide
N-[3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | E157-4290 |
| Compound Name: | N-[3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C15 H17 N5 O2 S |
| Smiles: | CC(C)CC(Nc1nn2c(c3cccc(c3)OC)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0616 |
| logD: | 3.0594 |
| logSw: | -3.4767 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.727 |
| InChI Key: | SNKQUNBBBHJUML-UHFFFAOYSA-N |