N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0430 |
| Compound Name: | N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C23 H27 N5 O2 |
| Smiles: | Cc1c(CN(C)C(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)cn(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6067 |
| logD: | 1.2504 |
| logSw: | -2.1848 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.505 |
| InChI Key: | RACZHMSSGMKPKN-QGZVFWFLSA-N |