2-(3,5-dimethoxyphenyl)-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(3,5-dimethoxyphenyl)-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(3,5-dimethoxyphenyl)-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-4949 |
| Compound Name: | 2-(3,5-dimethoxyphenyl)-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C25 H25 F N4 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)F)n3c(N2)nc(c2cc(cc(c2)OC)OC)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8555 |
| logD: | 4.8375 |
| logSw: | -4.7 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.432 |
| InChI Key: | QNBIIGMJTRMEBF-QFIPXVFZSA-N |