N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
Compound characteristics
| Compound ID: | C448-1619 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide |
| Molecular Weight: | 505.62 |
| Molecular Formula: | C31 H31 N5 O2 |
| Smiles: | Cc1ccc(cc1)N1C(c2c(C(C(NCCCN3CCc4ccccc4C3)=O)=N1)c1ccccc1n2C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4588 |
| logD: | 3.3089 |
| logSw: | -4.1887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.87 |
| InChI Key: | XHZVDMSGIWXLOS-UHFFFAOYSA-N |