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

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Properties Simple | Detailed

Formula C24H22N4O2
IUPAC Name 1-[(3r)-1-methyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea
Molecular Mass 398.457 g·mol−1
Heat of Formation 44.9 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 468.96 Å 3
Surface Area 416.73 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r)-1-methyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
  • 1-[(3r)-2-keto-1-methyl-5-phenyl-3h-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
  • l365260
  • n-[(3r)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl]-n'-(3-methylphenyl)urea
  • pdsp1_000921
  • pdsp2_000907
InChIKey KDFQABSFVYLGPM-QFIPXVFZSA-N
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