5-(4-methoxybenzoyl)-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
5-(4-methoxybenzoyl)-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
5-(4-methoxybenzoyl)-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C298-0053 |
| Compound Name: | 5-(4-methoxybenzoyl)-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C25 H22 N2 O4 |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2ccc(cc2)OC)=O)C(N1c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1712 |
| logD: | 4.1712 |
| logSw: | -4.4512 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.735 |
| InChI Key: | NJSUCTGWBWRKIX-UHFFFAOYSA-N |