9-(4-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0049 |
| Compound Name: | 9-(4-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C24 H24 N4 O S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.69 |
| logD: | 5.6281 |
| logSw: | -5.2877 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | NOQGIROPXVZZFN-QFIPXVFZSA-N |