methyl 4-[7-(4-fluorophenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
Chemical Structure Depiction of
methyl 4-[7-(4-fluorophenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
methyl 4-[7-(4-fluorophenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
Compound characteristics
| Compound ID: | K832-3788 |
| Compound Name: | methyl 4-[7-(4-fluorophenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C26 H19 F N4 O3 |
| Smiles: | COC(c1ccc(cc1)C1C2C(c3ccc(cc3)F)n3c(NC=2c2ccccc2O1)ncn3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9913 |
| logD: | 4.9912 |
| logSw: | -4.6837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.781 |
| InChI Key: | WFALGJSNNQEEKQ-UHFFFAOYSA-N |