2-{[(2-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-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(2-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: | C315-0003 |
| Compound Name: | 2-{[(2-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: | Cc1ccccc1CSc1nc2NC3CCCC(C=3C(c3cccs3)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0444 |
| logD: | 4.9589 |
| logSw: | -4.6382 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.085 |
| InChI Key: | HUPQEHWNRMOCQP-IBGZPJMESA-N |