N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1062 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C23 H21 Cl F N3 O2 |
| Smiles: | C1CC2=C(CCC1C(NCc1ccc(cc1)[Cl])=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3547 |
| logD: | 2.2733 |
| logSw: | -3.8588 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.606 |
| InChI Key: | HBTHDRUNNYBJTB-INIZCTEOSA-N |