N-[(4-fluorophenyl)methyl]-3-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamide
N-[(4-fluorophenyl)methyl]-3-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | C201-0248 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C25 H22 F N3 O3 |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1cccc(c1)C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0216 |
| logD: | 4.0216 |
| logSw: | -4.2247 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.49 |
| InChI Key: | MIYQTAOPLYXAHI-UHFFFAOYSA-N |