Chemical Property of (1'R,4R,10'S)-2-(2,2,2-Trifluoroethyl)-5'-[(E)-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
Chemical Property:
- Melting Point:1.41
- Boiling Point:591.3±60.0 °C(Predicted)
- PKA:11.66±0.20(Predicted)
- PSA:61.03000
- Density:1.41
- LogP:5.83540
- XLogP3:5.3
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:11
- Rotatable Bond Count:4
- Exact Mass:551.20411739
- Heavy Atom Count:37
- Complexity:957
- Purity/Quality:
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99% *data from raw suppliers
(3'R,6S,9R)-5,6,7,8,9,10-Hexahydro-5'-(2,2,2-trifluoroethyl)-2-[(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl]spiro[6,9-methanobenzocyclooctene-11,3 95% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:C1CC2CC3=C(CC1C24CN(S(=O)(=O)N4)CC(F)(F)F)C=CC(=C3)C=CCN5CCC(CC5)C(F)(F)F
- Isomeric SMILES:C1C[C@@H]2CC3=C(C[C@H]1[C@]24CN(S(=O)(=O)N4)CC(F)(F)F)C=CC(=C3)/C=C/CN5CCC(CC5)C(F)(F)F