N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2-(4-methyl-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2-(4-methyl-1H-pyrazol-1-yl)acetamide
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2-(4-methyl-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | SC87-0661 |
| Compound Name: | N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2-(4-methyl-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C22 H24 F N5 O2 |
| Smiles: | Cc1cnn(CC(NCC2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0216 |
| logD: | 0.9402 |
| logSw: | -2.5242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.17 |
| InChI Key: | YUBFPAAJSIVNFZ-OAHLLOKOSA-N |