N-[3-(azepan-1-yl)propyl]-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[3-(azepan-1-yl)propyl]-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-1678 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | CC1=NN(CC(NCCCN2CCCCCC2)=O)C(c2cc3cc(C)ccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7551 |
| logD: | 0.1265 |
| logSw: | -3.0326 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.002 |
| InChI Key: | XEPCLQPLXDKVTA-UHFFFAOYSA-N |