2-(4-fluorophenyl)-4-oxo-N-[2-(pyridin-4-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-fluorophenyl)-4-oxo-N-[2-(pyridin-4-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1)
2-(4-fluorophenyl)-4-oxo-N-[2-(pyridin-4-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB25-0928 |
| Compound Name: | 2-(4-fluorophenyl)-4-oxo-N-[2-(pyridin-4-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C23 H23 F N4 O2 |
| Salt: | HCl |
| Smiles: | C1CC2=C(CCC1C(NCCc1ccncc1)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5769 |
| logD: | 0.4956 |
| logSw: | -1.7547 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.876 |
| InChI Key: | WRWYGDLALKGXCW-KRWDZBQOSA-N |