7-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3808 |
| Compound Name: | 7-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 359.25 |
| Molecular Formula: | C12 H8 Cl2 N4 O S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4895 |
| logD: | 4.4501 |
| logSw: | -4.477 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.689 |
| InChI Key: | FHYGPMWNUJTXRJ-UHFFFAOYSA-N |