6-[(4-chlorophenyl)methyl]-3-(2,4-dimethylanilino)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-3-(2,4-dimethylanilino)-1,2,4-triazin-5(4H)-one
6-[(4-chlorophenyl)methyl]-3-(2,4-dimethylanilino)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0403 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-3-(2,4-dimethylanilino)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 340.81 |
| Molecular Formula: | C18 H17 Cl N4 O |
| Smiles: | Cc1ccc(c(C)c1)NC1NC(C(Cc2ccc(cc2)[Cl])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5807 |
| logD: | 4.58 |
| logSw: | -4.6409 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.058 |
| InChI Key: | GPNNOJYTALLMFI-UHFFFAOYSA-N |