ChemSpider 2D Image | 1-Acetyl-2'-[3,5-bis(trifluoromethyl)benzoyl]-5'-phenyldihydro-2'H-spiro[piperidine-4,1'-pyrrolo[3,4-c]pyrrole]-4',6'(3'H,5'H)-dione | C27H23F6N3O4

1-Acetyl-2'-[3,5-bis(trifluoromethyl)benzoyl]-5'-phenyldihydro-2'H-spiro[piperidine-4,1'-pyrrolo[3,4-c]pyrrole]-4',6'(3'H,5'H)-dione

  • Molecular FormulaC27H23F6N3O4
  • Average mass567.480 Da
  • Monoisotopic mass567.159302 Da
  • ChemSpider ID23189917

More details:

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

1-Acetyl-2'-[3,5-bis(trifluoromethyl)benzoyl]-5'-phenyldihydro-2'H-spiro[piperidine-4,1'-pyrrolo[3,4-c]pyrrole]-4',6'(3'H,5'H)-dione [ACD/IUPAC Name]
Spiro[piperidine-4,1'(2'H)-pyrrolo[3,4-c]pyrrole]-4',6'(5'H)-dione, 1-acetyl-2'-[3,5-bis(trifluoromethyl)benzoyl]tetrahydro-5'-phenyl- [ACD/Index Name]
1-acetyl-2'-[3,5-di(trifluoromethyl)benzoyl]-5'-phenylspiro[hexahydropyridine-4,1'-perhydropyrrolo[3,4-c]pyrrole]-4',6'-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 712.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.9±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 256.82
ACD/KOC (pH 5.5): 1846.78
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 256.82
ACD/KOC (pH 7.4): 1846.79
Polar Surface Area: 78 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 375.1±5.0 cm3

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