N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-bromoaniline
Chemical Structure Depiction of
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-bromoaniline
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-bromoaniline
Compound characteristics
| Compound ID: | 0819-1008 |
| Compound Name: | N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-bromoaniline |
| Molecular Weight: | 489.54 |
| Molecular Formula: | C16 H9 Br Cl3 N5 O2 |
| Smiles: | c1ccc2c(c1)nnn2C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)\Nc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.8755 |
| logD: | 4.6265 |
| logSw: | -6.2132 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.144 |
| InChI Key: | QPHBKQOEZSZLLJ-UHFFFAOYSA-N |