6-methyl-2-(methylsulfanyl)-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6-methyl-2-(methylsulfanyl)-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6-methyl-2-(methylsulfanyl)-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-6129 |
| Compound Name: | 6-methyl-2-(methylsulfanyl)-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 346.47 |
| Molecular Formula: | C16 H18 N4 O S2 |
| Smiles: | CC1CC2=C(C(c3c(C)ccs3)n3c(N2)nc(n3)SC)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0269 |
| logD: | 3.8179 |
| logSw: | -4.1141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.357 |
| InChI Key: | NSNPHWHPWDWBRF-UHFFFAOYSA-N |