5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0697 |
| Compound Name: | 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C23 H28 N6 O4 |
| Smiles: | Cc1ccc(c(C)c1)NC(Cn1c(c(C(NCCc2ccc(c(c2)OC)OC)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2132 |
| logD: | 1.2132 |
| logSw: | -2.2247 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.164 |
| InChI Key: | HLIQMBYGWAEQEZ-UHFFFAOYSA-N |