Found 64 results

Search term: MF = 'C_{37}H_{32}N_{2}O_{4}'
ChemSpider 2D Image | (1'S,2'S,3R,3a'R)-2'-(3-Methoxybenzoyl)-5',7'-dimethyl-1'-(4-methylbenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one | C37H32N2O4

(1'S,2'S,3R,3a'R)-2'-(3-Methoxybenzoyl)-5',7'-dimethyl-1'-(4-methylbenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

  • Molecular FormulaC37H32N2O4
  • Average mass568.661 Da
  • Monoisotopic mass568.236206 Da
  • ChemSpider ID60558126

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1'S,2'S,3R,3a'R)-2'-(3-Methoxybenzoyl)-5',7'-dimethyl-1'-(4-methylbenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one [ACD/IUPAC Name]
Spiro[3H-indole-3,3'(3'aH)-pyrrolo[1,2-a]quinolin]-2(1H)-one, 1',2'-dihydro-2'-(3-methoxybenzoyl)-5',7'-dimethyl-1'-(4-methylbenzoyl)-, (1'S,2'S,3R,3a'R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 782.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.9±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 164.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 104013.76
ACD/KOC (pH 5.5): 135763.33
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 104037.52
ACD/KOC (pH 7.4): 135794.33
Polar Surface Area: 76 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 426.0±5.0 cm3

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