2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-(2-methylpropane-2-sulfonyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-(2-methylpropane-2-sulfonyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-(2-methylpropane-2-sulfonyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C201-1305 |
| Compound Name: | 2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-(2-methylpropane-2-sulfonyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C22 H28 N6 O5 S |
| Smiles: | CC(C)(C)S(C1C=CC2=NN(CC(N3CCN(CC3)c3ccc(cc3)OC)=O)C(N2N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7479 |
| logD: | 1.7474 |
| logSw: | -2.4641 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 101.781 |
| InChI Key: | ZXFGQXAKYQTQEM-UHFFFAOYSA-N |