3-Fluoro-N-[(2S,3R)-3-Hydroxy-4-{[(3-Methoxyphenyl)Sulfonyl](2-Thienylmethyl)Amino}-1-Phenyl-2-Butanyl]-2-Methylbenzamide

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Properties Simple | Detailed

Formula C30H31FN2O5S2
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thienylmethyl)amino]propyl]-3-fluoro-2-methyl-benzamide
Molecular Mass 582.706 g·mol−1
Heat of Formation -716.0 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 674.08 Å 3
Surface Area 525.77 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-fluoro-n-[(1s,2r)-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thienylmethyl)amino]-1-(phenylmethyl)propyl]-2-methyl-benzamide
  • 3-fluoro-n-[(1s,2r)-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thienylmethyl)amino]-1-(phenylmethyl)propyl]-2-methylbenzamide
  • 3-fluoro-n-[(2s,3r)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenyl-butan-2-yl]-2-methyl-benzamide
  • 3-fluoro-n-[(2s,3r)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
InChIKey AXUYLLZCOSCKTG-URLMMPGGSA-N
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