N-{3-Chloro-4-[(12As)-3,4,12,12A-Tetrahydro-1H-[1,4]Oxazino[3,4-C][1,4]Benzodiazepin-11(6H)-Ylcarbonyl]Phenyl}-2-Biphenylcarboxamide

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Formula C32H28ClN3O3
IUPAC Name n-[4-[(4as,12s)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chloro-phenyl]-2-phenyl-benzamide
Molecular Mass 538.036 g·mol−1
Heat of Formation -104.6 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 629.44 Å 3
Surface Area 469.56 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[(4as)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chloro-phenyl]-2-phenyl-benzamide
  • n-[4-[[(4as)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepin-6-yl]-oxomethyl]-3-chlorophenyl]-2-phenylbenzamide
  • n-[4-[[(4as)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepin-6-yl]carbonyl]-3-chloro-phenyl]-2-phenyl-benzamide
InChIKey TYWBAYRNYLDJBB-VWLOTQADSA-N
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Elements H C N O Cl