5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(3-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(3-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(3-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0243 |
| Compound Name: | 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(3-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C21 H23 F N6 O4 |
| Smiles: | COc1ccc(CCNC(c2c(N)n(CC(Nc3cccc(c3)F)=O)nn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.884 |
| logD: | 0.8839 |
| logSw: | -2.2634 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.861 |
| InChI Key: | DEDYSOHMSGLOIJ-UHFFFAOYSA-N |