5-benzoyl-3-(4-chlorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
5-benzoyl-3-(4-chlorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
5-benzoyl-3-(4-chlorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-1214 |
| Compound Name: | 5-benzoyl-3-(4-chlorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 418.88 |
| Molecular Formula: | C24 H19 Cl N2 O3 |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2ccccc2)=O)C(N1c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8 |
| logD: | 4.8 |
| logSw: | -5.031 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.191 |
| InChI Key: | FRKVNYDBAJSEHK-UHFFFAOYSA-N |