methyl 9-(4-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-(4-chlorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate
methyl 9-(4-chlorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate
Compound characteristics
| Compound ID: | C553-0008 |
| Compound Name: | methyl 9-(4-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(c3ccc(cc3)[Cl])n2n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8875 |
| logD: | 2.1917 |
| logSw: | -3.8817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.79 |
| InChI Key: | IOVROWUEIVLIGL-AWEZNQCLSA-N |