methyl 2-{[3-(3-chloro-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-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
methyl 2-{[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C507-0052 |
| Compound Name: | methyl 2-{[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate |
| Molecular Weight: | 516.94 |
| Molecular Formula: | C27 H21 Cl N4 O5 |
| Smiles: | Cn1c2C(N(c3ccc(c(c3)[Cl])OC)N=C(C(Nc3ccccc3C(=O)OC)=O)c2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4633 |
| logD: | 4.2905 |
| logSw: | -4.8344 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.168 |
| InChI Key: | KPQNWJAARMTHAL-UHFFFAOYSA-N |