(2R)-2-[4-(Cyclopropylsulfonyl)Phenyl]-N-(5-Fluoro-1,3-Thiazol-2-Yl)-3-(Tetrahydro-2H-Pyran-4-Yl)Propanamide

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Properties Simple | Detailed

Formula C20H23FN2O4S2
IUPAC Name (2r)-2-(4-cyclopropylsulfonylphenyl)-n-(5-fluorothiazol-2-yl)-3-tetrahydropyran-4-yl-propanamide
Molecular Mass 438.536 g·mol−1
Heat of Formation -578.7 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 501.55 Å 3
Surface Area 409.49 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(4-cyclopropylsulfonylphenyl)-n-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
  • (2r)-2-(4-cyclopropylsulfonylphenyl)-n-(5-fluoro-2-thiazolyl)-3-(4-tetrahydropyranyl)propanamide
  • (2r)-2-(4-cyclopropylsulfonylphenyl)-n-(5-fluorothiazol-2-yl)-3-tetrahydropyran-4-yl-propanamide
  • (2r)-2-(4-cyclopropylsulfonylphenyl)-n-(5-fluorothiazol-2-yl)-3-tetrahydropyran-4-yl-propionamide
InChIKey DBMFNEZMJWKKPU-QGZVFWFLSA-N
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