3-(3-chloro-4-methoxyphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-methoxyphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
3-(3-chloro-4-methoxyphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
Compound characteristics
| Compound ID: | C507-0205 |
| Compound Name: | 3-(3-chloro-4-methoxyphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide |
| Molecular Weight: | 504.99 |
| Molecular Formula: | C26 H21 Cl N4 O3 S |
| Smiles: | Cn1c2C(N(c3ccc(c(c3)[Cl])OC)N=C(C(Nc3cccc(c3)SC)=O)c2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0014 |
| logD: | 5.0014 |
| logSw: | -5.4727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.692 |
| InChI Key: | AQQVJLDWWRVQGF-UHFFFAOYSA-N |