ChemSpider 2D Image | (4R)-2-Amino-8'-ethoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile | C27H29N3O4

(4R)-2-Amino-8'-ethoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile

  • Molecular FormulaC27H29N3O4
  • Average mass459.537 Da
  • Monoisotopic mass459.215820 Da
  • ChemSpider ID62643076

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2-Amino-8'-ethoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile [ACD/IUPAC Name]
Spiro[4H-1-benzopyran-4,1'(2'H)-[4H]pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile, 2-amino-8'-ethoxy-5,6,7,8-tetrahydro-4',4',6',7,7-pentamethyl-2',5-dioxo-, (4R)- [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: 738.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.6±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 41.45
ACD/KOC (pH 5.5): 208.42
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 679.48
ACD/KOC (pH 7.4): 3416.73
Polar Surface Area: 106 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 345.7±5.0 cm3

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