2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-{4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-{4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl}ethan-1-one
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-{4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | 6434-3714 |
| Compound Name: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-{4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C27 H28 N6 O S |
| Smiles: | Cc1ccc(cc1)c1c2ccccc2c(nn1)N1CCN(CC1)C(CSc1nc(C)cc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4526 |
| logD: | 4.4523 |
| logSw: | -4.304 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.429 |
| InChI Key: | BBQPEPGTMKADIJ-UHFFFAOYSA-N |