N-[2-(4-chlorophenyl)-6-methyl-2H-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)-6-methyl-2H-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
N-[2-(4-chlorophenyl)-6-methyl-2H-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3617-3402 |
| Compound Name: | N-[2-(4-chlorophenyl)-6-methyl-2H-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C22 H18 Cl N5 O4 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1cc2c(cc1C)nn(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7339 |
| logD: | 4.5851 |
| logSw: | -4.9352 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.957 |
| InChI Key: | NUFVZFAOKGVCQD-UHFFFAOYSA-N |