N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | C656-0432 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 452.44 |
| Molecular Formula: | C22 H21 F N6 O4 |
| Smiles: | COc1ccc(CCNC(CN2C=Nc3c(C2=O)nnn3c2ccc(cc2)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.7919 |
| logD: | 0.7919 |
| logSw: | -2.266 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.732 |
| InChI Key: | QLMAPJZIWQUGMH-UHFFFAOYSA-N |