methyl 4-[6-(4-methoxyphenyl)-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-[6-(4-methoxyphenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoate
methyl 4-[6-(4-methoxyphenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoate
Compound characteristics
| Compound ID: | C202-3956 |
| Compound Name: | methyl 4-[6-(4-methoxyphenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoate |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C24 H22 N4 O4 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)Nc2ncnn12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0314 |
| logD: | 3.5373 |
| logSw: | -4.2167 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.003 |
| InChI Key: | IOIKTVYVANCMGK-UHFFFAOYSA-N |