2-(methylsulfanyl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(methylsulfanyl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1199 |
| Compound Name: | 2-(methylsulfanyl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C17 H18 N4 O S2 |
| Smiles: | CSc1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8553 |
| logD: | 3.7491 |
| logSw: | -4.0637 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | WRTQBTBRPXLROP-HNNXBMFYSA-N |