1-[(3R)-1-(2-Cyclohexyl-2-Oxoethyl)-5-Ethyl-9-Methyl-2-Oxo-2,3-Dihydro-1H-1,4-Benzodiazepin-3-Yl]-3-(3-Methylphenyl)Urea

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Properties Simple | Detailed

Formula C28H34N4O3
IUPAC Name 1-[(3r)-1-(2-cyclohexyl-2-oxo-ethyl)-5-ethyl-9-methyl-2-oxo-3h-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea
Molecular Mass 474.595 g·mol−1
Heat of Formation -383.7 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 582.18 Å 3
Surface Area 474.1 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r)-1-(2-cyclohexyl-2-keto-ethyl)-5-ethyl-2-keto-9-methyl-3h-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
  • 1-[(3r)-1-(2-cyclohexyl-2-oxo-ethyl)-5-ethyl-9-methyl-2-oxo-3h-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
  • 1-[(3r)-1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2-oxo-3h-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
  • fr-202893
  • fr-208418
  • fr-208419
InChIKey HEJSSPHGFQDYCH-SANMLTNESA-N
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