2-{[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl}-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl}-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide
2-{[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl}-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide
Compound characteristics
| Compound ID: | E860-1124 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl}-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide |
| Molecular Weight: | 496.03 |
| Molecular Formula: | C25 H26 Cl N5 O2 S |
| Smiles: | CC(C)Oc1ccc(CNC(CSc2c3c(c(C)nn2)c(C)n(c2ccc(cc2)[Cl])n3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4503 |
| logD: | 4.4503 |
| logSw: | -4.7122 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.019 |
| InChI Key: | PHYNTXWIDNFJCG-UHFFFAOYSA-N |