3-(2,6-dimethylphenyl)-2,11-dimethyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(2,6-dimethylphenyl)-2,11-dimethyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(2,6-dimethylphenyl)-2,11-dimethyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1390 |
| Compound Name: | 3-(2,6-dimethylphenyl)-2,11-dimethyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CC1C2c3cc(ccc3OC1(C)N(C(N2)=S)c1c(C)cccc1C)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8065 |
| logD: | 4.8065 |
| logSw: | -4.7755 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.292 |
| InChI Key: | NJPORICQPWIMJJ-UHFFFAOYSA-N |