3-[(2-chlorophenoxy)methyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Chemical Structure Depiction of
3-[(2-chlorophenoxy)methyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
3-[(2-chlorophenoxy)methyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Compound characteristics
| Compound ID: | V030-8609 |
| Compound Name: | 3-[(2-chlorophenoxy)methyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 454.86 |
| Molecular Formula: | C19 H14 Cl F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1)C(F)(F)F)N1C(CSc2nnc(COc3ccccc3[Cl])n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7311 |
| logD: | 3.7311 |
| logSw: | -4.2344 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.748 |
| InChI Key: | OXRGTRLYJPMODC-UHFFFAOYSA-N |