5-amino-N-(2,5-dimethoxyphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2,5-dimethoxyphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2,5-dimethoxyphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1411 |
| Compound Name: | 5-amino-N-(2,5-dimethoxyphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C20 H22 N6 O4 |
| Smiles: | Cc1cccc(c1)NC(Cn1c(c(C(Nc2cc(ccc2OC)OC)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9303 |
| logD: | 1.9292 |
| logSw: | -2.7137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 106.913 |
| InChI Key: | YFFQKHLYXUIQLT-UHFFFAOYSA-N |