6-tert-butyl-3-[4-chloro-3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-tert-butyl-3-[4-chloro-3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
6-tert-butyl-3-[4-chloro-3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0229 |
| Compound Name: | 6-tert-butyl-3-[4-chloro-3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 346.74 |
| Molecular Formula: | C14 H14 Cl F3 N4 O |
| Smiles: | CC(C)(C)C1C(NC(Nc2ccc(c(c2)C(F)(F)F)[Cl])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7811 |
| logD: | 4.0554 |
| logSw: | -4.9552 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.124 |
| InChI Key: | NKZPMGVDJPOGLJ-UHFFFAOYSA-N |