2-{5-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-{5-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide
2-{5-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | C880-2829 |
| Compound Name: | 2-{5-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 483.03 |
| Molecular Formula: | C25 H27 Cl N4 O2 S |
| Smiles: | CCCSCCCNC(CN1C(c2c(C=N1)c1ccccc1n2Cc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2544 |
| logD: | 4.2544 |
| logSw: | -4.4062 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.656 |
| InChI Key: | ISGUEAZXVYIZKV-UHFFFAOYSA-N |