1,3-dimethyl-N-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
1,3-dimethyl-N-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-1H-pyrazole-4-carboxamide
1,3-dimethyl-N-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | SC87-0560 |
| Compound Name: | 1,3-dimethyl-N-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | Cc1c(cn(C)n1)C(NCC1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8112 |
| logD: | 1.4548 |
| logSw: | -2.5341 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.768 |
| InChI Key: | BDRYYQDKRPENFN-OAHLLOKOSA-N |