4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
Chemical Structure Depiction of
4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
Compound characteristics
| Compound ID: | F249-0183 |
| Compound Name: | 4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CN1C(c2c(C=N1)c1ccccc1n2CCCC(NCc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.769 |
| logD: | 2.7685 |
| logSw: | -3.0834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.472 |
| InChI Key: | STYJQCRBKNVSMQ-UHFFFAOYSA-N |