3-[(2-methoxyphenoxy)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-methoxyphenoxy)methyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
3-[(2-methoxyphenoxy)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: | V003-2472 |
| Compound Name: | 3-[(2-methoxyphenoxy)methyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 450.44 |
| Molecular Formula: | C20 H17 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1OCc1nnc2n1N(Cc1ccc(cc1)C(F)(F)F)C(CS2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0836 |
| logD: | 3.0836 |
| logSw: | -3.2893 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.379 |
| InChI Key: | BIEMOMNRFQXJIM-UHFFFAOYSA-N |