N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-ethoxyaniline
Chemical Structure Depiction of
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-ethoxyaniline
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-ethoxyaniline
Compound characteristics
| Compound ID: | 0819-1018 |
| Compound Name: | N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-ethoxyaniline |
| Molecular Weight: | 454.7 |
| Molecular Formula: | C18 H14 Cl3 N5 O3 |
| Smiles: | CCOc1ccc(cc1)N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.4364 |
| logD: | 5.2701 |
| logSw: | -5.9229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.268 |
| InChI Key: | PBPQCNDCDNVVPY-UHFFFAOYSA-N |