N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-fluorobenzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-fluorobenzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | V026-0010 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-fluorobenzamide |
| Molecular Weight: | 613.65 |
| Molecular Formula: | C33 H32 F N5 O6 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1ccc(nn1)N1CCN(CC1)C(CN(Cc1ccc2c(c1)OCO2)C(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5638 |
| logD: | 3.491 |
| logSw: | -3.7248 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.142 |
| InChI Key: | LAKQVIXUDPZSCT-UHFFFAOYSA-N |