3-(4-chlorophenyl)-2-methyl-5-(4-methylbenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-methyl-5-(4-methylbenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(4-chlorophenyl)-2-methyl-5-(4-methylbenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-1217 |
| Compound Name: | 3-(4-chlorophenyl)-2-methyl-5-(4-methylbenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 432.91 |
| Molecular Formula: | C25 H21 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1)C(N1C2CC(C)(N(C1=O)c1ccc(cc1)[Cl])Oc1ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3285 |
| logD: | 5.3285 |
| logSw: | -6.0018 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.191 |
| InChI Key: | MAXHEWSTUYGQJM-UHFFFAOYSA-N |