ChemSpider 2D Image | N-{4-[(3R,3'S,3a'R,6a'R)-3'-(1H-Indol-3-ylmethyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide | C30H25N5O4

N-{4-[(3R,3'S,3a'R,6a'R)-3'-(1H-Indol-3-ylmethyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide

  • Molecular FormulaC30H25N5O4
  • Average mass519.551 Da
  • Monoisotopic mass519.190674 Da
  • ChemSpider ID62580336

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Acetamide, N-[4-[(3R,3'S,3a'R,6a'R)-1,2,2',3',3'a,4',6',6'a-octahydro-3'-(1H-indol-3-ylmethyl)-2,4',6'-trioxospiro[3H-indole-3,1'(5'H)-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl]- [ACD/Index Name]
N-{4-[(3R,3'S,3a'R,6a'R)-3'-(1H-Indol-3-ylmethyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 939.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 522.0±34.3 °C
Index of Refraction: 1.765
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 48.53
ACD/KOC (pH 5.5): 526.51
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 60.26
ACD/KOC (pH 7.4): 653.66
Polar Surface Area: 123 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 346.0±5.0 cm3

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