N-[(2,3-dimethoxyphenyl)methyl]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
Compound characteristics
| Compound ID: | D699-0131 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide |
| Molecular Weight: | 471.52 |
| Molecular Formula: | C25 H25 N7 O3 |
| Smiles: | Cc1cc(C)n(c2nc3c(c4ccccc4n3CC(NCc3cccc(c3OC)OC)=O)nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9751 |
| logD: | 2.975 |
| logSw: | -3.1863 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.874 |
| InChI Key: | PFPLKYHPFPWNIY-UHFFFAOYSA-N |