N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1015 |
| Compound Name: | N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C25 H25 F N4 O3 |
| Smiles: | CN(CC(Nc1ccc(cc1)F)=O)C(C1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8279 |
| logD: | 2.4715 |
| logSw: | -3.3305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.493 |
| InChI Key: | YNUUECLWXLCREM-KRWDZBQOSA-N |