2-[(2-fluorophenyl)methyl]-N,3-bis(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
2-[(2-fluorophenyl)methyl]-N,3-bis(4-methylphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide
2-[(2-fluorophenyl)methyl]-N,3-bis(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: | K784-5427 |
| Compound Name: | 2-[(2-fluorophenyl)methyl]-N,3-bis(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: | 539.61 |
| Molecular Formula: | C32 H30 F N3 O4 |
| Smiles: | Cc1ccc(cc1)C1C(NCC23C=CC(C(C2C(N1Cc1ccccc1F)=O)C(Nc1ccc(C)cc1)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8427 |
| logD: | 4.8424 |
| logSw: | -4.6427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.747 |
| InChI Key: | NVWRNVXZDZJYPQ-UHFFFAOYSA-N |