9-(3-bromo-4-fluorophenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-bromo-4-fluorophenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-bromo-4-fluorophenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3448F |
| Compound Name: | 9-(3-bromo-4-fluorophenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 459.24 |
| Molecular Formula: | C18 H15 Br F4 N4 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)[Br])F)n3c(N2)nc(C(F)(F)F)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4797 |
| logD: | 0.6832 |
| logSw: | -4.4009 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.616 |
| InChI Key: | JNMBIWYZIIMOGR-AWEZNQCLSA-N |