2-{[(4-chlorophenyl)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-{[(4-chlorophenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(4-chlorophenyl)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: | C315-0005 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 428.96 |
| Molecular Formula: | C20 H17 Cl N4 O S2 |
| Smiles: | C1CC2=C(C(c3cccs3)n3c(N2)nc(n3)SCc2ccc(cc2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5614 |
| logD: | 4.4759 |
| logSw: | -4.8441 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.085 |
| InChI Key: | NRXZLRQOWQBRAK-SFHVURJKSA-N |