6-benzyl-2-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
Chemical Structure Depiction of
6-benzyl-2-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
6-benzyl-2-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
Compound characteristics
| Compound ID: | C891-0019 |
| Compound Name: | 6-benzyl-2-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C29 H33 N5 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(c2c(C=N1)c(C)n(Cc1ccccc1)c2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9453 |
| logD: | 3.9452 |
| logSw: | -4.1592 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.279 |
| InChI Key: | IQDZWNSIUNKFJF-UHFFFAOYSA-N |