N-[(2,4-dimethoxyphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(2,4-dimethoxyphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0980 |
| Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C25 H27 N3 O4 |
| Smiles: | COc1ccc(CNC(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8454 |
| logD: | 2.4891 |
| logSw: | -3.449 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.78 |
| InChI Key: | YEZNPNCEEXMXKK-QGZVFWFLSA-N |