5-amino-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0594 |
| Compound Name: | 5-amino-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 472.93 |
| Molecular Formula: | C22 H25 Cl N6 O4 |
| Smiles: | Cc1c(cccc1[Cl])NC(Cn1c(c(C(NCCc2ccc(c(c2)OC)OC)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.538 |
| logD: | 1.5378 |
| logSw: | -2.6317 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.164 |
| InChI Key: | BHABDURNAMUDJO-UHFFFAOYSA-N |