N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V021-5159 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 639.67 |
| Molecular Formula: | C34 H33 N5 O8 |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)OC)c1ccc(nn1)N1CCN(CC1)C(CN(Cc1ccc2c(c1)OCO2)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5353 |
| logD: | 3.5325 |
| logSw: | -3.6498 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 106.171 |
| InChI Key: | GDPVYZVVUYTXFB-UHFFFAOYSA-N |