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

Molecule SVG Image

Properties Simple | Detailed

Formula C32H26N4O3
IUPAC Name 3-(3-methylphenyl)-1-[(3s)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]urea
Molecular Mass 514.574 g·mol−1
Heat of Formation -31.5 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 612.17 Å 3
Surface Area 495.9 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s)-2-keto-1-[2-keto-2-(2-methylphenyl)ethyl]-5-phenyl-3h-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
  • 3-(3-methylphenyl)-1-[(3s)-1-[2-(2-methylphenyl)-2-oxo-ethyl]-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]urea
InChIKey YCXFHPUBGMMWJQ-SSEXGKCCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N