methyl 4-(2-methyl-7-phenyl-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-(2-methyl-7-phenyl-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate
methyl 4-(2-methyl-7-phenyl-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate
Compound characteristics
| Compound ID: | K832-3716 |
| Compound Name: | methyl 4-(2-methyl-7-phenyl-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C27 H22 N4 O3 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(c3ccccc3)n3c(N1)ncn3)C(c1ccc(cc1)C(=O)OC)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3914 |
| logD: | 5.391 |
| logSw: | -5.5457 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.781 |
| InChI Key: | PDEPLQNXKQUJIC-UHFFFAOYSA-N |