N-(3-cyanophenyl)-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-(3-cyanophenyl)-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
N-(3-cyanophenyl)-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: | D699-0127 |
| Compound Name: | N-(3-cyanophenyl)-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide |
| Molecular Weight: | 422.45 |
| Molecular Formula: | C23 H18 N8 O |
| Smiles: | Cc1cc(C)n(c2nc3c(c4ccccc4n3CC(Nc3cccc(C#N)c3)=O)nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1174 |
| logD: | 3.117 |
| logSw: | -3.1117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.26 |
| InChI Key: | SQUJONMLCMQAFV-UHFFFAOYSA-N |