9-(2,4-dichlorophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,4-dichlorophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,4-dichlorophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2756 |
| Compound Name: | 9-(2,4-dichlorophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 531.44 |
| Molecular Formula: | C25 H21 Cl2 F N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3[Cl])[Cl])n3c(N2)nc(n3)SCC(c2ccc(cc2)F)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2061 |
| logD: | 6.1061 |
| logSw: | -6.149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.314 |
| InChI Key: | LXPWRCFEYGCLMR-QFIPXVFZSA-N |