N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-chloroaniline
Chemical Structure Depiction of
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-chloroaniline
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-chloroaniline
Compound characteristics
| Compound ID: | 4872-0666 |
| Compound Name: | N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-4-chloroaniline |
| Molecular Weight: | 445.09 |
| Molecular Formula: | C16 H9 Cl4 N5 O2 |
| Smiles: | c1ccc2c(c1)nnn2C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)\Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6622 |
| logD: | 4.4901 |
| logSw: | -6.1345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.144 |
| InChI Key: | BYYRECCGAUIATI-UHFFFAOYSA-N |