methyl 2-{[3-(4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
methyl 2-{[3-(4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C448-0992 |
| Compound Name: | methyl 2-{[3-(4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate |
| Molecular Weight: | 482.5 |
| Molecular Formula: | C27 H22 N4 O5 |
| Smiles: | Cn1c2C(N(c3ccc(cc3)OC)N=C(C(Nc3ccccc3C(=O)OC)=O)c2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0656 |
| logD: | 3.8928 |
| logSw: | -4.3782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.082 |
| InChI Key: | IYDGVNXJQQQJHG-UHFFFAOYSA-N |