ethyl 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
ethyl 2-{[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
ethyl 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: | C507-0088 |
| Compound Name: | ethyl 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: | 530.97 |
| Molecular Formula: | C28 H23 Cl N4 O5 |
| Smiles: | CCOC(c1ccccc1NC(C1c2c3ccccc3n(C)c2C(N(c2ccc(c(c2)[Cl])OC)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0069 |
| logD: | 4.8341 |
| logSw: | -5.2249 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.748 |
| InChI Key: | VEPWZDIGPDUXBL-UHFFFAOYSA-N |