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GNE-616 25mg

CAT: 0628-A19046-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A19046-25Size:25 mg
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CAS Number
2349371-81-7

Chemical Information

(4S)-6-fluoro-4-[(2R,4S)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CAS Number2349371-81-7
PubChem CID138393286
IUPAC Name(4S)-6-fluoro-4-[(2R,4S)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
Molecular FormulaC24H23F4N5O3S
Molecular Weight537.5
XLogP3.5
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity875
SMILES
C1CN([C@H](C[C@H]1C(F)(F)F)C2=CC=CC=N2)[C@H]3CCOC4=CC(=C(C=C34)F)S(=O)(=O)NC5=NC=NC=C5
InChI
InChI=1S/C24H23F4N5O3S/c25-17-12-16-19(33-9-5-15(24(26,27)28)11-20(33)18-3-1-2-7-30-18)6-10-36-21(16)13-22(17)37(34,35)32-23-4-8-29-14-31-23/h1-4,7-8,12-15,19-20H,5-6,9-11H2,(H,29,31,32)/t15-,19-,20+/m0/s1
InChIKey
XQUOWYVEKSXNET-RYGJVYDSSA-N
Chemical Structure
2D Structure
2D structure of (4S)-6-fluoro-4-[(2R,4S)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CAS: 2349371-81-7
CID: 138393286
Formula: C24H23F4N5O3S
MW: 537.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight537.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass537.14577343
Monoisotopic Mass537.14577343
Topological Polar Surface Area106 Ų
Heavy Atom Count37
Formal Charge0
Complexity875
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes