ChemSpider 2D Image | N-{4-[1-(2-Chlorobenzyl)-3'-ethyl-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 | C30H27ClN4O4

N-{4-[1-(2-Chlorobenzyl)-3'-ethyl-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 FormulaC30H27ClN4O4
  • Average mass543.013 Da
  • Monoisotopic mass542.172058 Da
  • ChemSpider ID3421729

More details:

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

Acetamide, N-[4-[1-[(2-chlorophenyl)methyl]-3'-ethyl-1,2,2',3',3'a,4',6',6'a-octahydro-2,4',6'-trioxospiro[3H-indole-3,1'(5'H)-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl]- [ACD/Index Name]
N-{4-[1-(2-Chlorobenzyl)-3'-ethyl-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]
N-(4-{9-[(2-chlorophenyl)methyl]-4-ethyl-1,3,10-trioxospiro[2,4,5,6,3a,6a-hexahydro-2,5-diazapentalene-6,3'-indoline]-2-yl}phenyl)acetamide

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

A3270/0139095 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 895.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.2±3.0 kJ/mol
Flash Point: 495.3±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 335.26
ACD/KOC (pH 5.5): 2100.74
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.64
ACD/KOC (pH 7.4): 2604.35
Polar Surface Area: 99 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 375.2±5.0 cm3

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