N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1104 |
| Compound Name: | N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C22 H24 F N5 O2 |
| Smiles: | Cc1c(CNC(C2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)c(C)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0603 |
| logD: | 0.9789 |
| logSw: | -2.6767 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.521 |
| InChI Key: | RGWXZFNFAVHHLS-OAHLLOKOSA-N |