6-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyanilino)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyanilino)-1,2,4-triazin-5(4H)-one
6-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyanilino)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0411 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyanilino)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 372.81 |
| Molecular Formula: | C18 H17 Cl N4 O3 |
| Smiles: | COc1ccc(c(c1)OC)NC1NC(C(Cc2ccc(cc2)[Cl])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8433 |
| logD: | 3.8395 |
| logSw: | -4.5046 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.232 |
| InChI Key: | AMRVAWYQKCDRQK-UHFFFAOYSA-N |