N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2468-3687 |
| Compound Name: | N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide |
| Molecular Weight: | 467.87 |
| Molecular Formula: | C22 H18 Cl N5 O5 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nn(c1ccc(c(c1)[Cl])OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6017 |
| logD: | 4.5098 |
| logSw: | -4.8688 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.285 |
| InChI Key: | TUHCAHXCEVWUGE-UHFFFAOYSA-N |