methyl 4-(8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate
Chemical Structure Depiction of
methyl 4-(8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate
methyl 4-(8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate
Compound characteristics
| Compound ID: | K832-3190 |
| Compound Name: | methyl 4-(8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate |
| Molecular Weight: | 324.34 |
| Molecular Formula: | C17 H16 N4 O3 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CCCC2=O)Nc2ncnn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2466 |
| logD: | 2.0559 |
| logSw: | -2.8728 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.731 |
| InChI Key: | CJJKHBBXXJKIDE-HNNXBMFYSA-N |