N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | E717-0554 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CSc1ccc(CCNC(CN2C(c3c(C=N2)c2ccccc2[nH]3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3287 |
| logD: | 2.3287 |
| logSw: | -2.8088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.753 |
| InChI Key: | ZCTAMHGECGPHLM-UHFFFAOYSA-N |