3-(3-ethylphenyl)-2-methyl-5-(3-nitrobenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(3-ethylphenyl)-2-methyl-5-(3-nitrobenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(3-ethylphenyl)-2-methyl-5-(3-nitrobenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-1229 |
| Compound Name: | 3-(3-ethylphenyl)-2-methyl-5-(3-nitrobenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C26 H23 N3 O5 |
| Smiles: | CCc1cccc(c1)N1C(N(C2CC1(C)Oc1ccccc12)C(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0611 |
| logD: | 5.0611 |
| logSw: | -4.7965 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.573 |
| InChI Key: | SDYMUSHLYNFQTL-UHFFFAOYSA-N |