2,11-dimethyl-8-nitro-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
2,11-dimethyl-8-nitro-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
2,11-dimethyl-8-nitro-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1392 |
| Compound Name: | 2,11-dimethyl-8-nitro-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)N1C(NC2C(C)C1(C)Oc1ccc(cc12)[N+]([O-])=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3584 |
| logD: | 5.3584 |
| logSw: | -5.5809 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.894 |
| InChI Key: | OWNNOGNQZXDQHL-UHFFFAOYSA-N |