N-[2-(4-ethoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-ethoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-4-methoxy-3-nitrobenzamide
N-[2-(4-ethoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0676 |
| Compound Name: | N-[2-(4-ethoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | CCOc1ccc(cc1)n1nc2cc(C)c(cc2n1)NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0449 |
| logD: | 3.8961 |
| logSw: | -4.1812 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.501 |
| InChI Key: | DDYGMZKPIZUPIJ-UHFFFAOYSA-N |