N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1)
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB25-0878 |
| Compound Name: | N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C22 H24 F N5 O2 |
| Salt: | HCl |
| Smiles: | Cc1cc(CNC(C2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2693 |
| logD: | 0.1879 |
| logSw: | -2.1015 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.41 |
| InChI Key: | VNNBNESWEKRUTM-HNNXBMFYSA-N |