methyl 2-[2-(4-oxo-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-oxo-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
methyl 2-[2-(4-oxo-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | E717-0046 |
| Compound Name: | methyl 2-[2-(4-oxo-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C23 H22 N4 O4 |
| Smiles: | CCCn1c2C(N(CC(Nc3ccccc3C(=O)OC)=O)N=Cc2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2898 |
| logD: | 3.283 |
| logSw: | -3.443 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.947 |
| InChI Key: | VEASSADXJDESNV-UHFFFAOYSA-N |