3-(4-chlorophenyl)-5-(2,4-dichlorobenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-(2,4-dichlorobenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(4-chlorophenyl)-5-(2,4-dichlorobenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-1220 |
| Compound Name: | 3-(4-chlorophenyl)-5-(2,4-dichlorobenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 487.77 |
| Molecular Formula: | C24 H17 Cl3 N2 O3 |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2ccc(cc2[Cl])[Cl])=O)C(N1c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1241 |
| logD: | 6.1241 |
| logSw: | -6.1082 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.191 |
| InChI Key: | GVYUFTIHUNNDRQ-UHFFFAOYSA-N |