N-{3-[benzyl(ethyl)amino]propyl}-2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[benzyl(ethyl)amino]propyl}-2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-{3-[benzyl(ethyl)amino]propyl}-2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-2545 |
| Compound Name: | N-{3-[benzyl(ethyl)amino]propyl}-2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C26 H31 N5 O3 |
| Smiles: | CCN(CCCNC(CN1C(c2cc3c(cccc3n2C(C)=N1)OC)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8188 |
| logD: | 1.1719 |
| logSw: | -3.0549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.006 |
| InChI Key: | SCBFUSQKRPKECH-UHFFFAOYSA-N |