N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methylbutanamide
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)-3-methylbutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V007-4624 |
| 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)-3-methylbutanamide |
| Molecular Weight: | 575.67 |
| Molecular Formula: | C31 H37 N5 O6 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CC(N1CCN(CC1)c1ccc(c2ccc(cc2OC)OC)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6894 |
| logD: | 3.6866 |
| logSw: | -3.9796 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.799 |
| InChI Key: | RKKMXIRSAHEDRG-UHFFFAOYSA-N |