4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxylic acid
Chemical Structure Depiction of
4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxylic acid
4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxylic acid
Compound characteristics
| Compound ID: | SB25-0398 |
| Compound Name: | 4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxylic acid |
| Molecular Weight: | 284.31 |
| Molecular Formula: | C16 H16 N2 O3 |
| Smiles: | C1CC2=C(CCC1C(O)=O)N=C(c1ccccc1)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1128 |
| logD: | -1.1878 |
| logSw: | -1.9898 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.601 |
| InChI Key: | ZWYAVPJCKOZDHY-LLVKDONJSA-N |