3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide
Chemical Structure Depiction of
3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide
3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide
Compound characteristics
| Compound ID: | K784-5426 |
| Compound Name: | 3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide |
| Molecular Weight: | 543.57 |
| Molecular Formula: | C31 H27 F2 N3 O4 |
| Smiles: | Cc1ccc(cc1)NC(C1C2C(N(Cc3ccccc3F)C(C(NCC23C=CC1O3)=O)c1ccc(cc1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4484 |
| logD: | 4.4481 |
| logSw: | -4.3841 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.747 |
| InChI Key: | FYGSXUKGLMSOCR-UHFFFAOYSA-N |