2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2866 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 468.98 |
| Molecular Formula: | C24 H22 Cl F N4 O S |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3)n3c(N2)nc(n3)SCc2ccc(cc2[Cl])F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1295 |
| logD: | 5.9904 |
| logSw: | -6.0921 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | KLJLWPNZXUGANO-NRFANRHFSA-N |