N-benzyl-N-ethyl-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-N-ethyl-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-benzyl-N-ethyl-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1059 |
| Compound Name: | N-benzyl-N-ethyl-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C25 H26 F N3 O2 |
| Smiles: | CCN(Cc1ccccc1)C(C1CCC2=C(CC1)N=C(c1ccc(cc1)F)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.593 |
| logD: | 2.5116 |
| logSw: | -3.5931 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.129 |
| InChI Key: | WSUGYMBJGIYBNT-LJQANCHMSA-N |