N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | C880-0257 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | CC(C)N(CCCNC(CN1C(c2c(C=N1)c1ccccc1n2C)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5839 |
| logD: | 0.5802 |
| logSw: | -2.8779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.063 |
| InChI Key: | KPOCLUDTGCFGNN-UHFFFAOYSA-N |