(4R)-1-Benzyl-N-Hydroxy-3-[(4-Methoxyphenyl)Sulfonyl]-6-Oxohexahydro-4-Pyrimidinecarboxamide

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Properties Simple | Detailed

Formula C19H21N3O6S
IUPAC Name (3s,4r)-1-benzyl-3-(4-methoxyphenyl)sulfonyl-6-oxo-hexahydropyrimidine-4-carbohydroxamic acid
Molecular Mass 419.452 g·mol−1
Heat of Formation -692.5 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 462.89 Å 3
Surface Area 367.33 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-1-(benzyl)-6-keto-3-(4-methoxyphenyl)sulfonyl-hexahydropyrimidine-4-carbohydroxamic acid
  • (4r)-3-(4-methoxyphenyl)sulfonyl-6-oxo-1-(phenylmethyl)-4-hexahydropyrimidinecarbohydroxamic acid
  • (4r)-3-(4-methoxyphenyl)sulfonyl-6-oxo-1-(phenylmethyl)hexahydropyrimidine-4-carbohydroxamic acid
  • (4r)-n-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-oxo-1-(phenylmethyl)-1,3-diazinane-4-carboxamide
  • 1-benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic acid hydroxyamide
  • bbh
InChIKey SUSMVCKSLVPRCL-QGZVFWFLSA-N
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