2-methyl-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
2-methyl-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
2-methyl-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
Compound characteristics
Compound ID: | 7833-0232 |
Compound Name: | 2-methyl-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide |
Molecular Weight: | 387.4 |
Molecular Formula: | C21 H17 N5 O3 |
Smiles: | Cc1ccc(cc1)n1nc2ccc(cc2n1)NC(c1cccc(c1C)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.9595 |
logD: | 4.5379 |
logSw: | -4.676 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.444 |
InChI Key: | BVBVGNZIFWIPFZ-UHFFFAOYSA-N |