2-chloro-7-(4-methylphenyl)-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
2-chloro-7-(4-methylphenyl)-6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
2-chloro-7-(4-methylphenyl)-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: | K832-3821 |
| Compound Name: | 2-chloro-7-(4-methylphenyl)-6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 473 |
| Molecular Formula: | C26 H21 Cl N4 O S |
| Smiles: | Cc1ccc(cc1)C1C2C(c3ccc(cc3)SC)Oc3ccc(cc3C=2Nc2ncnn12)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7134 |
| logD: | 6.7125 |
| logSw: | -6.6667 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.607 |
| InChI Key: | PJTPLRANLRMOJF-UHFFFAOYSA-N |