4-(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
4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}butanamide
4-(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: | C884-2828 |
| Compound Name: | 4-(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: | CN1C(c2c(C=N1)c1ccccc1n2CCCC(NCCc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5437 |
| logD: | 2.5433 |
| logSw: | -2.6985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.314 |
| InChI Key: | UMSKXFDTINSBEN-UHFFFAOYSA-N |