7-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3817 |
| Compound Name: | 7-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 352.82 |
| Molecular Formula: | C13 H9 Cl N4 O2 S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2922 |
| logD: | 3.1993 |
| logSw: | -3.7928 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.936 |
| InChI Key: | CEPQBGBSAPTMBY-UHFFFAOYSA-N |