1-(3-chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-en-4-imine--hydrogen iodide (1/1)
Chemical Structure Depiction of
1-(3-chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-en-4-imine--hydrogen iodide (1/1)
1-(3-chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-en-4-imine--hydrogen iodide (1/1)
Compound characteristics
| Compound ID: | 8004-2360 |
| Compound Name: | 1-(3-chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-en-4-imine--hydrogen iodide (1/1) |
| Molecular Weight: | 579.85 |
| Molecular Formula: | C22 H21 Cl F3 N3 S |
| Salt: | HI |
| Smiles: | CSC1=NC(\C2(CCCCC2)N1c1cccc(c1)[Cl])=N/c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.8694 |
| logD: | 6.8694 |
| logSw: | -6.603 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.2588 |
| InChI Key: | NULKBPCBRASDKM-DIBXZPPDSA-N |