2-(3-chlorophenyl)-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-chlorophenyl)-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(3-chlorophenyl)-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: | 5225-5189 |
| Compound Name: | 2-(3-chlorophenyl)-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C23 H20 Cl F N4 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)F)n3c(N2)nc(c2cccc(c2)[Cl])n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5494 |
| logD: | 5.5314 |
| logSw: | -6.0929 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.345 |
| InChI Key: | UCJBHKJCTVNEAB-FQEVSTJZSA-N |