6-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
6-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C201-1332 |
| Compound Name: | 6-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 465.96 |
| Molecular Formula: | C23 H20 Cl N5 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(CN1C(N2C(C=CC(=N2)SCc2ccc(cc2)[Cl])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9476 |
| logD: | 3.9476 |
| logSw: | -4.4514 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.231 |
| InChI Key: | ZRRVKOAHMCLVFQ-UHFFFAOYSA-N |