5-amino-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0262 |
| Compound Name: | 5-amino-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 440.46 |
| Molecular Formula: | C21 H24 N6 O5 |
| Smiles: | COc1ccc(CNC(c2c(N)n(CC(Nc3ccc(cc3OC)OC)=O)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.0076 |
| logD: | 1.0075 |
| logSw: | -2.3004 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 115.779 |
| InChI Key: | MIMHXHXYMMFBGS-UHFFFAOYSA-N |