N-(2-methyl-3-nitrophenyl)-2-(4-oxo-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-2-(4-oxo-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
N-(2-methyl-3-nitrophenyl)-2-(4-oxo-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | E717-0171 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-2-(4-oxo-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C22 H21 N5 O4 |
| Smiles: | CCCn1c2C(N(CC(Nc3cccc(c3C)[N+]([O-])=O)=O)N=Cc2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5027 |
| logD: | 3.5021 |
| logSw: | -3.7092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.854 |
| InChI Key: | CSOYYVYQZWFXSH-UHFFFAOYSA-N |