2-(4-fluorophenyl)-4-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-4-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-4-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0880 |
| Compound Name: | 2-(4-fluorophenyl)-4-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C21 H22 F N5 O2 |
| Smiles: | C1CC2=C(CCC1C(NCCn1cccn1)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1906 |
| logD: | 0.1092 |
| logSw: | -1.9112 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.221 |
| InChI Key: | UFBYHMJVIHVKDG-OAHLLOKOSA-N |