N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
Chemical Structure Depiction of
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
Compound characteristics
| Compound ID: | SC87-0687 |
| Compound Name: | N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C25 H23 F N4 O4 |
| Smiles: | C1CC2=C(CCC1CNC(CN1C(=O)Oc3ccccc13)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6541 |
| logD: | 1.5727 |
| logSw: | -3.2961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.493 |
| InChI Key: | QDXCVYUHTWIRMZ-OAHLLOKOSA-N |