N-[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]-4-methoxy-3-nitrobenzamide
N-[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2810-1314 |
| Compound Name: | N-[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 423.81 |
| Molecular Formula: | C20 H14 Cl N5 O4 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nn(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3887 |
| logD: | 4.2967 |
| logSw: | -4.7772 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.075 |
| InChI Key: | PAUKVVKYMKPLOQ-UHFFFAOYSA-N |