2-ethoxy-N-[3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-1-yl]aniline
Chemical Structure Depiction of
2-ethoxy-N-[3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-1-yl]aniline
2-ethoxy-N-[3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-1-yl]aniline
Compound characteristics
| Compound ID: | 4872-0180 |
| Compound Name: | 2-ethoxy-N-[3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-1-yl]aniline |
| Molecular Weight: | 404.64 |
| Molecular Formula: | C14 H12 Cl3 N5 O3 |
| Smiles: | CCOc1ccccc1N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 4.0974 |
| logD: | 1.7395 |
| logSw: | -4.4042 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.923 |
| InChI Key: | ONMKSIHVAQJEND-UHFFFAOYSA-N |