6-[(3,4-dimethoxyphenyl)methyl]-3-{2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[(3,4-dimethoxyphenyl)methyl]-3-{2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-1,2,4-triazin-5(2H)-one
6-[(3,4-dimethoxyphenyl)methyl]-3-{2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | 8007-1733 |
| Compound Name: | 6-[(3,4-dimethoxyphenyl)methyl]-3-{2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 424.41 |
| Molecular Formula: | C20 H20 N6 O5 |
| Smiles: | C\C(c1ccc(cc1)[N+]([O-])=O)=N/NC1NN=C(Cc2ccc(c(c2)OC)OC)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6636 |
| logD: | 2.5503 |
| logSw: | -2.9881 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.129 |
| InChI Key: | PPSCACWNLRINHL-UHFFFAOYSA-N |