6-benzyl-3-(3,4-dichloroanilino)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-benzyl-3-(3,4-dichloroanilino)-1,2,4-triazin-5(4H)-one
6-benzyl-3-(3,4-dichloroanilino)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0071 |
| Compound Name: | 6-benzyl-3-(3,4-dichloroanilino)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 347.2 |
| Molecular Formula: | C16 H12 Cl2 N4 O |
| Smiles: | C(C1C(NC(Nc2ccc(c(c2)[Cl])[Cl])=NN=1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7427 |
| logD: | 4.5098 |
| logSw: | -4.9816 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.756 |
| InChI Key: | CVICZJLNLXXWCY-UHFFFAOYSA-N |