5-amino-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0750 |
| Compound Name: | 5-amino-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 428.42 |
| Molecular Formula: | C20 H21 F N6 O4 |
| Smiles: | COc1ccc(cc1OC)NC(Cn1c(c(C(NCc2ccc(cc2)F)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.844 |
| logD: | 0.844 |
| logSw: | -2.227 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.02 |
| InChI Key: | LZRIUWYRPHIQQU-UHFFFAOYSA-N |