6,6-dimethyl-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
6,6-dimethyl-2-(methylsulfanyl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-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: | K832-3232 |
| Compound Name: | 6,6-dimethyl-2-(methylsulfanyl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 386.54 |
| Molecular Formula: | C19 H22 N4 O S2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)SC)n3c(N2)nc(n3)SC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4609 |
| logD: | 4.2349 |
| logSw: | -4.3071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | YBBXBXBZYCLHCK-INIZCTEOSA-N |