N-[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide
N-[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0645 |
| Compound Name: | N-[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C21 H16 Cl N5 O3 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1ccc2c(c1)nn(c1ccc(C)c(c1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9377 |
| logD: | 5.8669 |
| logSw: | -6.2014 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.444 |
| InChI Key: | GIYNRSHMZPRZQN-UHFFFAOYSA-N |