N-benzyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-benzyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-9981 |
| Compound Name: | N-benzyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 595.66 |
| Molecular Formula: | C33 H33 N5 O6 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1ccc(nn1)N1CCN(CC1)C(CN(Cc1ccccc1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3954 |
| logD: | 3.3227 |
| logSw: | -3.6381 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.142 |
| InChI Key: | IGBMMUKXYLGCSR-UHFFFAOYSA-N |