2-(benzylsulfanyl)-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2981 |
| Compound Name: | 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C25 H26 N4 O S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2nc(nn12)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3714 |
| logD: | 5.2323 |
| logSw: | -5.4083 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | INKNDIJRHADGJW-QFIPXVFZSA-N |