methyl 8-oxo-9-(2,3,4-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate
Chemical Structure Depiction of
methyl 8-oxo-9-(2,3,4-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate
methyl 8-oxo-9-(2,3,4-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate
Compound characteristics
| Compound ID: | K832-3474 |
| Compound Name: | methyl 8-oxo-9-(2,3,4-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline-2-carboxylate |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C20 H22 N4 O6 |
| Smiles: | COC(c1nc2NC3CCCC(C=3C(c3ccc(c(c3OC)OC)OC)n2n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2011 |
| logD: | 1.5054 |
| logSw: | -3.0029 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.855 |
| InChI Key: | YKOVKSMBUPWZQV-HNNXBMFYSA-N |