2-{[(3-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(3-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C315-0004 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C21 H20 N4 O S2 |
| Smiles: | Cc1cccc(CSc2nc3NC4CCCC(C=4C(c4cccs4)n3n2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8908 |
| logD: | 4.8053 |
| logSw: | -4.6874 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.085 |
| InChI Key: | OIVIDTHMTVYHNR-IBGZPJMESA-N |