3-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-2,11-dimethyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(3-chloro-4-fluorophenyl)-2,11-dimethyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1401 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-2,11-dimethyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 407.85 |
| Molecular Formula: | C18 H15 Cl F N3 O3 S |
| Smiles: | CC1C2c3cc(ccc3OC1(C)N(C(N2)=S)c1ccc(c(c1)[Cl])F)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.615 |
| logD: | 4.615 |
| logSw: | -4.9558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.894 |
| InChI Key: | KHPBXOQVAOCUSR-UHFFFAOYSA-N |