methyl (5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetate
Chemical Structure Depiction of
methyl (5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetate
methyl (5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetate
Compound characteristics
| Compound ID: | C800-0089 |
| Compound Name: | methyl (5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetate |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C20 H17 N3 O3 |
| Smiles: | COC(CN1C(c2c(C=N1)c1ccccc1n2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7402 |
| logD: | 2.7402 |
| logSw: | -2.8115 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.922 |
| InChI Key: | GYPMMLJYDHUNAF-UHFFFAOYSA-N |