2-{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide
2-{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | C880-1648 |
| Compound Name: | 2-{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 490.67 |
| Molecular Formula: | C28 H34 N4 O2 S |
| Smiles: | CCCSCCCNC(CN1C(c2c(C=N1)c1ccccc1n2Cc1c(C)cc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.154 |
| logD: | 5.154 |
| logSw: | -5.1442 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.656 |
| InChI Key: | XHQJTBODPFOINU-UHFFFAOYSA-N |