2-(4-fluorophenyl)-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0885 |
| Compound Name: | 2-(4-fluorophenyl)-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C26 H29 F N4 O2 |
| Smiles: | CN(CCCNC(C1CCC2=C(CC1)N=C(c1ccc(cc1)F)NC2=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8484 |
| logD: | 1.7671 |
| logSw: | -3.3579 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.652 |
| InChI Key: | NPHBCKLWLSXEED-LJQANCHMSA-N |