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FHT-2344 100mg

CAT: 0628-A24379-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A24379-100Size:100 mg
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CAS Number
2468058-90-2

Chemical Information

N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
CAS Number2468058-90-2
PubChem CID168310320
IUPAC NameN-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
Molecular FormulaC23H24N6O5S2
Molecular Weight528.6
XLogP1.4
Topological Polar Surface Area174
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity887
SMILES
CN1C=CC(=N1)C2=CC(=CC=C2)C3=CSC(=N3)NC(=O)[C@H](COC)NC(=O)C4=CN(C=C4)S(=O)(=O)C
InChI
InChI=1S/C23H24N6O5S2/c1-28-9-8-18(27-28)15-5-4-6-16(11-15)20-14-35-23(25-20)26-22(31)19(13-34-2)24-21(30)17-7-10-29(12-17)36(3,32)33/h4-12,14,19H,13H2,1-3H3,(H,24,30)(H,25,26,31)/t19-/m0/s1
InChIKey
APLVGTKXOIMODQ-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
CAS: 2468058-90-2
CID: 168310320
Formula: C23H24N6O5S2
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass528.12496023
Monoisotopic Mass528.12496023
Topological Polar Surface Area174 Ų
Heavy Atom Count36
Formal Charge0
Complexity887
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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