N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(4-ethyl-9-methoxy-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(4-ethyl-9-methoxy-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(4-ethyl-9-methoxy-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-2869 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(4-ethyl-9-methoxy-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C27 H31 N5 O3 |
| Smiles: | CCC1=NN(CC(NCCCN2CCc3ccccc3C2)=O)C(c2cc3c(cccc3n12)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0594 |
| logD: | 1.8553 |
| logSw: | -3.2098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.055 |
| InChI Key: | BPMOGSRUORMQRD-UHFFFAOYSA-N |