methyl 9-(4-fluorophenyl)-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate
Chemical Structure Depiction of
methyl 9-(4-fluorophenyl)-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate
methyl 9-(4-fluorophenyl)-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate
Compound characteristics
| Compound ID: | C553-0057 |
| Compound Name: | methyl 9-(4-fluorophenyl)-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C19 H19 F N4 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)F)n3c(N2)nc(C(=O)OC)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9274 |
| logD: | 1.8955 |
| logSw: | -3.2753 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.79 |
| InChI Key: | ANSBJUWOPLTBLW-HNNXBMFYSA-N |