3-[(4-tert-butylphenoxy)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-[(4-tert-butylphenoxy)methyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
3-[(4-tert-butylphenoxy)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: | V030-8638 |
| Compound Name: | 3-[(4-tert-butylphenoxy)methyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 476.52 |
| Molecular Formula: | C23 H23 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc2n1N(Cc1ccc(cc1)C(F)(F)F)C(CS2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.131 |
| logD: | 5.131 |
| logSw: | -4.9251 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.661 |
| InChI Key: | PKCOVZWFMDKEAW-UHFFFAOYSA-N |