N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3,5-dimethylbenzamide
Chemical Structure Depiction of
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3,5-dimethylbenzamide
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3,5-dimethylbenzamide
Compound characteristics
| Compound ID: | SC87-1170 |
| Compound Name: | N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3,5-dimethylbenzamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C25 H26 F N3 O2 |
| Smiles: | Cc1cc(C)cc(c1)C(NCC1CCC2=C(CC1)N=C(c1ccc(cc1)F)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.104 |
| logD: | 3.0226 |
| logSw: | -4.2404 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.606 |
| InChI Key: | MWKRMBPFTBZPFU-QGZVFWFLSA-N |