3-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl}piperazin-1-yl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl}piperazin-1-yl)-1lambda~6~-thiolane-1,1-dione
3-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl}piperazin-1-yl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y043-3643 |
| Compound Name: | 3-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl}piperazin-1-yl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C21 H27 N5 O3 S |
| Smiles: | Cc1cc(C)nc(Nc2cccc(c2)C(N2CCN(CC2)C2CCS(C2)(=O)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8079 |
| logD: | 0.8075 |
| logSw: | -2.2719 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.648 |
| InChI Key: | FWMKZRRZXLDGQO-LJQANCHMSA-N |