methyl 2-{[5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
methyl 2-{[5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C448-1462 |
| Compound Name: | methyl 2-{[5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C27 H22 N4 O4 |
| Smiles: | Cc1ccc(cc1)N1C(c2c(C(C(Nc3ccccc3C(=O)OC)=O)=N1)c1ccccc1n2C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5066 |
| logD: | 4.3338 |
| logSw: | -4.472 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.538 |
| InChI Key: | RELAOCOIQQEWKO-UHFFFAOYSA-N |