6-[4-(methylsulfanyl)phenyl]-7-(thiophen-2-yl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-[4-(methylsulfanyl)phenyl]-7-(thiophen-2-yl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
6-[4-(methylsulfanyl)phenyl]-7-(thiophen-2-yl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-2885 |
| Compound Name: | 6-[4-(methylsulfanyl)phenyl]-7-(thiophen-2-yl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C23 H18 N4 O S2 |
| Smiles: | CSc1ccc(cc1)C1C2C(c3cccs3)n3c(NC=2c2ccccc2O1)ncn3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.215 |
| logD: | 5.2148 |
| logSw: | -5.2601 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.626 |
| InChI Key: | TYVUEUZZWYGLLQ-UHFFFAOYSA-N |