N-(2-{[4-(2-Amino-1,3-Thiazol-4-Yl)Phenyl]Amino}-2-Oxoethyl)-N-Benzylcyclohexanecarboxamide

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Properties Simple | Detailed

Formula C25H28N4O2S
IUPAC Name n-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-cyclohexanecarboxamide
Molecular Mass 448.580 g·mol−1
Heat of Formation -110.9 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 543.5 Å 3
Surface Area 431.33 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • bils 22 bs
  • cyclohexanecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-(phenylmethyl)-
  • n-[2-[[4-(2-amino-1,3-thiazol-4-yl)phenyl]amino]-2-oxo-ethyl]-n-(phenylmethyl)cyclohexanecarboxamide
  • n-[2-[[4-(2-amino-1,3-thiazol-4-yl)phenyl]amino]-2-oxoethyl]-n-(phenylmethyl)cyclohexanecarboxamide
  • n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-(phenylmethyl)cyclohexanecarboxamide
  • n-[2-[[4-(2-aminothiazol-4-yl)phenyl]amino]-2-keto-ethyl]-n-(benzyl)cyclohexanecarboxamide
  • n-[2-[[4-(2-aminothiazol-4-yl)phenyl]amino]-2-oxo-ethyl]-n-(phenylmethyl)cyclohexanecarboxamide
InChIKey FGEOEYQHYVISSA-UHFFFAOYSA-N
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