N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}butanamide
Compound characteristics
| Compound ID: | V028-1277 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}butanamide |
| Molecular Weight: | 515.61 |
| Molecular Formula: | C29 H33 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CC(N1CCN(CC1)c1ccc(c2ccccc2)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.815 |
| logD: | 3.8112 |
| logSw: | -3.956 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.625 |
| InChI Key: | NUFHJIRDKOQVCD-UHFFFAOYSA-N |