2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-0964 |
| Compound Name: | 2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C30 H28 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccc(cc1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7238 |
| logD: | 5.6619 |
| logSw: | -5.5804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.056 |
| InChI Key: | HCYCAVZBYKIMII-NDEPHWFRSA-N |