3-(3-chloro-4-methylanilino)-6-[(2-chlorophenyl)methyl]-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
3-(3-chloro-4-methylanilino)-6-[(2-chlorophenyl)methyl]-1,2,4-triazin-5(4H)-one
3-(3-chloro-4-methylanilino)-6-[(2-chlorophenyl)methyl]-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0526 |
| Compound Name: | 3-(3-chloro-4-methylanilino)-6-[(2-chlorophenyl)methyl]-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 361.23 |
| Molecular Formula: | C17 H14 Cl2 N4 O |
| Smiles: | Cc1ccc(cc1[Cl])NC1NC(C(Cc2ccccc2[Cl])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4318 |
| logD: | 5.4253 |
| logSw: | -5.8885 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.756 |
| InChI Key: | ILRNFXBYIYHXDD-UHFFFAOYSA-N |