5-[(2H-1,3-benzodioxol-5-yl)oxy]-4-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methylphenyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)oxy]-4-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methylphenyl)pyridazin-3(2H)-one
5-[(2H-1,3-benzodioxol-5-yl)oxy]-4-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methylphenyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | V024-9804 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)oxy]-4-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methylphenyl)pyridazin-3(2H)-one |
| Molecular Weight: | 553.62 |
| Molecular Formula: | C31 H31 N5 O5 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1cccc(c1)NC1=C(C=NN(C1=O)c1ccc(C)cc1)Oc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8047 |
| logD: | 3.6284 |
| logSw: | -3.848 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.617 |
| InChI Key: | NRYQCVDEBDHKDZ-UHFFFAOYSA-N |