3-(3-chloro-4-fluorophenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(3-chloro-4-fluorophenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1381 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 392.88 |
| Molecular Formula: | C19 H18 Cl F N2 O2 S |
| Smiles: | CC1C2c3cccc(c3OC1(C)N(C(N2)=S)c1ccc(c(c1)[Cl])F)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.537 |
| logD: | 4.537 |
| logSw: | -4.8313 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8269 |
| InChI Key: | MFZFVSWQACCAQN-UHFFFAOYSA-N |