2-methyl-5-(4-nitrobenzoyl)-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
2-methyl-5-(4-nitrobenzoyl)-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
2-methyl-5-(4-nitrobenzoyl)-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C298-0048 |
| Compound Name: | 2-methyl-5-(4-nitrobenzoyl)-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C24 H19 N3 O5 |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2ccc(cc2)[N+]([O-])=O)=O)C(N1c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1145 |
| logD: | 4.1145 |
| logSw: | -4.4363 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.573 |
| InChI Key: | SEFLKVAMNNVGHQ-UHFFFAOYSA-N |