6-benzyl-3-(4-chloroanilino)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-benzyl-3-(4-chloroanilino)-1,2,4-triazin-5(4H)-one
6-benzyl-3-(4-chloroanilino)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0069 |
| Compound Name: | 6-benzyl-3-(4-chloroanilino)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 312.76 |
| Molecular Formula: | C16 H13 Cl N4 O |
| Smiles: | C(C1C(NC(Nc2ccc(cc2)[Cl])=NN=1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8632 |
| logD: | 3.8591 |
| logSw: | -4.5398 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.756 |
| InChI Key: | XAGXZVRLVRWDEI-UHFFFAOYSA-N |