2-phenyl-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-phenyl-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
2-phenyl-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-0406 |
| Compound Name: | 2-phenyl-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C24 H26 N6 O2 |
| Smiles: | C1CC2=C(CCC1C(N1CCN(CC1)c1ncccn1)=O)N=C(c1ccccc1)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3389 |
| logD: | 1.9825 |
| logSw: | -2.8133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.464 |
| InChI Key: | ZKSDKHYQEHLZIG-GOSISDBHSA-N |