methyl 4-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
methyl 4-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | E717-0578 |
| Compound Name: | methyl 4-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C20 H16 N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(c2c(C=N1)c1ccccc1[nH]2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3477 |
| logD: | 2.3476 |
| logSw: | -2.8477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.763 |
| InChI Key: | DIWUVHLBGAOFEG-UHFFFAOYSA-N |