2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}butanamide
Chemical Structure Depiction of
2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}butanamide
2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}butanamide
Compound characteristics
| Compound ID: | C884-1696 |
| Compound Name: | 2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}butanamide |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Smiles: | CCC(C(NCCc1ccc(cc1)SC)=O)n1c2C(N(C)N=Cc2c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.564 |
| logD: | 3.5639 |
| logSw: | -3.8253 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.829 |
| InChI Key: | IMVMNIKMFZXAMV-FQEVSTJZSA-N |