1,1-dichloro-N-[(6-chloropyridin-3-yl)methyl]-4-[(4-ethoxyphenyl)imino]-3-nitro-4-(1H-1,2,4-triazol-1-yl)but-2-en-2-amine
Chemical Structure Depiction of
1,1-dichloro-N-[(6-chloropyridin-3-yl)methyl]-4-[(4-ethoxyphenyl)imino]-3-nitro-4-(1H-1,2,4-triazol-1-yl)but-2-en-2-amine
1,1-dichloro-N-[(6-chloropyridin-3-yl)methyl]-4-[(4-ethoxyphenyl)imino]-3-nitro-4-(1H-1,2,4-triazol-1-yl)but-2-en-2-amine
Compound characteristics
| Compound ID: | 4872-0795 |
| Compound Name: | 1,1-dichloro-N-[(6-chloropyridin-3-yl)methyl]-4-[(4-ethoxyphenyl)imino]-3-nitro-4-(1H-1,2,4-triazol-1-yl)but-2-en-2-amine |
| Molecular Weight: | 510.77 |
| Molecular Formula: | C20 H18 Cl3 N7 O3 |
| Smiles: | CCOc1ccc(cc1)/N=C(/C(=C(\C([Cl])[Cl])NCc1ccc(nc1)[Cl])[N+]([O-])=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 3.0706 |
| logD: | 2.14 |
| logSw: | -3.5116 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.009 |
| InChI Key: | JVUWXYOQNJOZNX-UHFFFAOYSA-N |