4-methoxy-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-methoxy-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
4-methoxy-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2783-2494 |
| Compound Name: | 4-methoxy-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C21 H17 N5 O5 |
| Smiles: | COc1ccc(cc1)n1nc2ccc(cc2n1)NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7763 |
| logD: | 3.6844 |
| logSw: | -4.1859 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.619 |
| InChI Key: | KKHDKDURZXEEJA-UHFFFAOYSA-N |