4-oxo-2-phenyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
4-oxo-2-phenyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
4-oxo-2-phenyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1010 |
| Compound Name: | 4-oxo-2-phenyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-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(CNC(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3724 |
| logD: | 1.016 |
| logSw: | -2.0177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.446 |
| InChI Key: | ALXQRBRQWDEVIO-QGZVFWFLSA-N |