N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)butanamide
Compound characteristics
| Compound ID: | V026-5584 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)butanamide |
| Molecular Weight: | 529.64 |
| Molecular Formula: | C30 H35 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CC(N1CCN(CC1)c1ccc(c2ccc(C)cc2)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3434 |
| logD: | 4.3228 |
| logSw: | -4.3085 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.625 |
| InChI Key: | LWDAZCYBJXQELL-UHFFFAOYSA-N |