N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-([1,1'-biphenyl]-4-yl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-methoxyacetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-([1,1'-biphenyl]-4-yl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-methoxyacetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-([1,1'-biphenyl]-4-yl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-methoxyacetamide
Compound characteristics
| Compound ID: | V004-3254 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-([1,1'-biphenyl]-4-yl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-methoxyacetamide |
| Molecular Weight: | 579.66 |
| Molecular Formula: | C33 H33 N5 O5 |
| Salt: | not_available |
| Smiles: | COCC(N(CC(N1CCN(CC1)c1ccc(c2ccc(cc2)c2ccccc2)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.843 |
| logD: | 3.8428 |
| logSw: | -4.107 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.777 |
| InChI Key: | CVVCNXSRXGJSGV-UHFFFAOYSA-N |