2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C118-0098 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 423.92 |
| Molecular Formula: | C21 H18 Cl N5 O S |
| Smiles: | C1CC2=C(C(c3cccnc3)n3c(N2)nc(n3)SCc2ccccc2[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.115 |
| logD: | 4.0583 |
| logSw: | -4.3844 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.584 |
| InChI Key: | GXWFNQWARQWODL-IBGZPJMESA-N |