7-(3,4-dimethoxyphenyl)-6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dimethoxyphenyl)-6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dimethoxyphenyl)-6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-3823 |
| Compound Name: | 7-(3,4-dimethoxyphenyl)-6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C1C2C(c3ccc(cc3)SC)Oc3ccccc3C=2Nc2ncnn12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2534 |
| logD: | 5.2533 |
| logSw: | -5.2931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.868 |
| InChI Key: | NQJQCLQLSZOSDA-UHFFFAOYSA-N |