3-chloro-4-fluoro-N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}benzamide
Chemical Structure Depiction of
3-chloro-4-fluoro-N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}benzamide
3-chloro-4-fluoro-N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}benzamide
Compound characteristics
| Compound ID: | SC87-1174 |
| Compound Name: | 3-chloro-4-fluoro-N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}benzamide |
| Molecular Weight: | 443.88 |
| Molecular Formula: | C23 H20 Cl F2 N3 O2 |
| Smiles: | C1CC2=C(CCC1CNC(c1ccc(c(c1)[Cl])F)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7938 |
| logD: | 2.7124 |
| logSw: | -4.4892 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.606 |
| InChI Key: | MMOQBTCRLVZXGN-ZDUSSCGKSA-N |