N-(4-butylphenyl)-2-{3-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-{3-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-(4-butylphenyl)-2-{3-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Compound characteristics
| Compound ID: | C656-0182 |
| Compound Name: | N-(4-butylphenyl)-2-{3-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C23 H23 F N6 O2 |
| Smiles: | CCCCc1ccc(cc1)NC(CN1C=Nc2c(C1=O)nnn2Cc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0679 |
| logD: | 4.0679 |
| logSw: | -3.9618 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.171 |
| InChI Key: | AGWLSZRMPFODBV-UHFFFAOYSA-N |