N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1013 |
| Compound Name: | N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C26 H33 N5 O2 |
| Smiles: | CCn1c(C)c(CCN(C)C(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.432 |
| logD: | 2.0756 |
| logSw: | -2.8087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.6 |
| InChI Key: | NMILAPKJRNJTLD-HXUWFJFHSA-N |