N-(4-butylphenyl)-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-(4-butylphenyl)-2-[3-(4-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
N-(4-butylphenyl)-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: | C656-0400 |
| Compound Name: | N-(4-butylphenyl)-2-[3-(4-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C22 H21 F N6 O2 |
| Smiles: | CCCCc1ccc(cc1)NC(CN1C=Nc2c(C1=O)nnn2c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8916 |
| logD: | 3.8916 |
| logSw: | -3.9208 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.308 |
| InChI Key: | JCOHDRUYALCUPS-UHFFFAOYSA-N |