1,3-dimethyl-N-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-1H-pyrazole-5-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-5-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-5-carboxamide
Compound characteristics
| Compound ID: | SC87-0562 |
| 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-5-carboxamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | Cc1cc(C(NCC2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6756 |
| logD: | 1.3192 |
| logSw: | -2.3208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.929 |
| InChI Key: | FPWZCQNDDKRTPT-OAHLLOKOSA-N |