methyl 9-(2-chlorophenyl)-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-(2-chlorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate
methyl 9-(2-chlorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate
Compound characteristics
| Compound ID: | K832-3904 |
| Compound Name: | methyl 9-(2-chlorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C17 H15 Cl N4 O3 |
| Smiles: | COC(c1nc2NC3CCCC(C=3C(c3ccccc3[Cl])n2n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.87 |
| logD: | 2.2993 |
| logSw: | -3.5043 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.79 |
| InChI Key: | QEUMCEPCXDUMKQ-AWEZNQCLSA-N |