N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3,4-dimethoxyaniline
Chemical Structure Depiction of
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3,4-dimethoxyaniline
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3,4-dimethoxyaniline
Compound characteristics
| Compound ID: | 4872-0804 |
| Compound Name: | N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3,4-dimethoxyaniline |
| Molecular Weight: | 470.7 |
| Molecular Formula: | C18 H14 Cl3 N5 O4 |
| Smiles: | COc1ccc(cc1OC)N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.6024 |
| logD: | 3.8666 |
| logSw: | -4.7431 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.405 |
| InChI Key: | MJDIHVWUVZJUMO-UHFFFAOYSA-N |