6-[(2-chlorophenyl)methyl]-3-(3,5-dimethylanilino)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(2-chlorophenyl)methyl]-3-(3,5-dimethylanilino)-1,2,4-triazin-5(4H)-one
6-[(2-chlorophenyl)methyl]-3-(3,5-dimethylanilino)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0529 |
| Compound Name: | 6-[(2-chlorophenyl)methyl]-3-(3,5-dimethylanilino)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 340.81 |
| Molecular Formula: | C18 H17 Cl N4 O |
| Smiles: | Cc1cc(C)cc(c1)NC1NC(C(Cc2ccccc2[Cl])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7346 |
| logD: | 4.7345 |
| logSw: | -4.7616 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.756 |
| InChI Key: | HFNUCBIZFOUSPS-UHFFFAOYSA-N |