6-[(4-chlorophenyl)methyl]-3-[4-chloro-3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-3-[4-chloro-3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
6-[(4-chlorophenyl)methyl]-3-[4-chloro-3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0415 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-3-[4-chloro-3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 415.2 |
| Molecular Formula: | C17 H11 Cl2 F3 N4 O |
| Smiles: | C(C1C(NC(Nc2ccc(c(c2)C(F)(F)F)[Cl])=NN=1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4704 |
| logD: | 4.9406 |
| logSw: | -6.024 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.756 |
| InChI Key: | BIVQJTXSPDOAFD-UHFFFAOYSA-N |