3-(3,5-dimethylphenyl)-5-(4-methoxybenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-5-(4-methoxybenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(3,5-dimethylphenyl)-5-(4-methoxybenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-1216 |
| Compound Name: | 3-(3,5-dimethylphenyl)-5-(4-methoxybenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C27 H26 N2 O4 |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(C2CC1(C)Oc1ccccc12)C(c1ccc(cc1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.328 |
| logD: | 5.328 |
| logSw: | -5.3691 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.735 |
| InChI Key: | NVKBDUMELZNZFV-UHFFFAOYSA-N |