N-[(2,5-dimethylphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethylphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(2,5-dimethylphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1007 |
| Compound Name: | N-[(2,5-dimethylphenyl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C25 H27 N3 O2 |
| Smiles: | Cc1ccc(C)c(CNC(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9411 |
| logD: | 3.5848 |
| logSw: | -3.8133 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.606 |
| InChI Key: | BBXVBKXRIOCKFF-LJQANCHMSA-N |