3-tert-butyl-7-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-tert-butyl-7-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-tert-butyl-7-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G786-1985 |
| Compound Name: | 3-tert-butyl-7-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C18 H20 N4 O4 S2 |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SC(=N2)SCC(c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9054 |
| logD: | 3.8897 |
| logSw: | -4.1162 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.024 |
| InChI Key: | YUZKGVDMEBJYST-UHFFFAOYSA-N |