N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-methoxyaniline
Chemical Structure Depiction of
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-methoxyaniline
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-methoxyaniline
Compound characteristics
| Compound ID: | 4872-0129 |
| Compound Name: | N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-methoxyaniline |
| Molecular Weight: | 440.67 |
| Molecular Formula: | C17 H12 Cl3 N5 O3 |
| Smiles: | COc1ccc(cc1)N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.0498 |
| logD: | 4.8835 |
| logSw: | -5.0912 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.688 |
| InChI Key: | RJQYIQVBRAQWTE-UHFFFAOYSA-N |