N-(3-chlorophenyl)-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-(3-chlorophenyl)-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1061 |
| Compound Name: | N-(3-chlorophenyl)-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 411.86 |
| Molecular Formula: | C22 H19 Cl F N3 O2 |
| Smiles: | C1CC2=C(CCC1C(Nc1cccc(c1)[Cl])=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8247 |
| logD: | 2.7433 |
| logSw: | -4.4088 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.284 |
| InChI Key: | SNIGXAIDDJNZJP-AWEZNQCLSA-N |