2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
Chemical Structure Depiction of
2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
Compound characteristics
| Compound ID: | C786-1676 |
| Compound Name: | 2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | CCN(CCCNC(CN1C(c2cc3cc(C)ccc3n2C(C)=N1)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1055 |
| logD: | 4.0732 |
| logSw: | -4.0475 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.679 |
| InChI Key: | YKGJCPHHFBBZAL-UHFFFAOYSA-N |