N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]naphthalen-1-amine
Chemical Structure Depiction of
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]naphthalen-1-amine
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]naphthalen-1-amine
Compound characteristics
| Compound ID: | 1132-1081 |
| Compound Name: | N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]naphthalen-1-amine |
| Molecular Weight: | 460.7 |
| Molecular Formula: | C20 H12 Cl3 N5 O2 |
| Smiles: | c1ccc2c(cccc2c1)N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.8959 |
| logD: | 5.5645 |
| logSw: | -6.6041 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.175 |
| InChI Key: | VSPXEVNUVMEORI-UHFFFAOYSA-N |