N-[2-(4-chlorophenyl)ethyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-[2-(4-chlorophenyl)ethyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-1195 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C21 H17 Cl F N5 O2 S |
| Smiles: | C(CNC(CN1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7328 |
| logD: | 3.7328 |
| logSw: | -4.3916 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.489 |
| InChI Key: | UDPWRQZXWCNAEL-UHFFFAOYSA-N |