3-tert-butyl-7-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-tert-butyl-7-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-tert-butyl-7-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | 8017-1023 |
| Compound Name: | 3-tert-butyl-7-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 401.33 |
| Molecular Formula: | C15 H14 Cl2 N4 O S2 |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SC(=N2)SCc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8381 |
| logD: | 5.8317 |
| logSw: | -6.0513 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.516 |
| InChI Key: | GFPKXEDELIRFRH-UHFFFAOYSA-N |