4-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-(4-fluorophenyl)benzamide
Chemical Structure Depiction of
4-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-(4-fluorophenyl)benzamide
4-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-(4-fluorophenyl)benzamide
Compound characteristics
| Compound ID: | C201-0234 |
| Compound Name: | 4-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-(4-fluorophenyl)benzamide |
| Molecular Weight: | 451.88 |
| Molecular Formula: | C24 H19 Cl F N3 O3 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1c1ccc(cc1)C(Nc1ccc(cc1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8978 |
| logD: | 4.8912 |
| logSw: | -5.0132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.168 |
| InChI Key: | BWCQKFWGKMBKQK-UHFFFAOYSA-N |