N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)propanamide
Compound characteristics
| Compound ID: | V026-5548 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)propanamide |
| Molecular Weight: | 515.61 |
| Molecular Formula: | C29 H33 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)C(N(CC(N1CCN(CC1)c1ccc(c2ccc(C)cc2)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9827 |
| logD: | 3.962 |
| logSw: | -4.0218 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.153 |
| InChI Key: | JTMBOJNZWXXYGG-UHFFFAOYSA-N |