2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-9-(2-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-9-(2-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-9-(2-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2807 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-9-(2-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C26 H25 F N4 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3OC)n3c(N2)nc(n3)SCC(c2ccc(cc2)F)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9112 |
| logD: | 4.7722 |
| logSw: | -4.7053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.944 |
| InChI Key: | BLVUFWYWAKEFDL-QHCPKHFHSA-N |