4-methoxy-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
4-methoxy-N-[3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-1-yl]aniline
4-methoxy-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: | 4872-0225 |
| Compound Name: | 4-methoxy-N-[3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-1-yl]aniline |
| Molecular Weight: | 390.61 |
| Molecular Formula: | C13 H10 Cl3 N5 O3 |
| Smiles: | COc1ccc(cc1)N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6457 |
| logD: | 2.3674 |
| logSw: | -4.0953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.955 |
| InChI Key: | ZDMPZYFKECQLQS-UHFFFAOYSA-N |