5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0054 |
| Compound Name: | 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C22 H26 N6 O5 |
| Smiles: | COc1ccccc1NC(Cn1c(c(C(NCCc2ccc(c(c2)OC)OC)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4837 |
| logD: | 0.4837 |
| logSw: | -2.1916 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 115.794 |
| InChI Key: | MSYHLOLMXPXUQD-UHFFFAOYSA-N |