ChemSpider 2D Image | (2R,3S,2'S,3'R)-N,N'-[1,3-Phenylenebis(methylene)]bis[3-(5-methoxy-1H-indol-3-yl)bicyclo[2.2.1]heptan-2-amine] | C40H46N4O2

(2R,3S,2'S,3'R)-N,N'-[1,3-Phenylenebis(methylene)]bis[3-(5-methoxy-1H-indol-3-yl)bicyclo[2.2.1]heptan-2-amine]

  • Molecular FormulaC40H46N4O2
  • Average mass614.819 Da
  • Monoisotopic mass614.362061 Da
  • ChemSpider ID340567

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(2R,3S,2'S,3'R)-N,N'-(1,3-Phenylendimethylen)bis[3-(5-methoxy-1H-indol-3-yl)bicyclo[2.2.1]heptan-2-amin] [German] [ACD/IUPAC Name]
(2R,3S,2'S,3'R)-N,N'-(1,3-Phénylènediméthylène)bis[3-(5-méthoxy-1H-indol-3-yl)bicyclo[2.2.1]heptan-2-amine] [French] [ACD/IUPAC Name]
(2R,3S,2'S,3'R)-N,N'-[1,3-Phenylenebis(methylene)]bis[3-(5-methoxy-1H-indol-3-yl)bicyclo[2.2.1]heptan-2-amine] [ACD/IUPAC Name]
1,3-Benzenedimethanamine, N1-[(2R,3S)-3-(5-methoxy-1H-indol-3-yl)bicyclo[2.2.1]hept-2-yl]-N3-[(2S,3R)-3-(5-methoxy-1H-indol-3-yl)bicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]
Bicyclo[2.2.1]heptan-2-amine, N,N'-(1, 3-phenylene)bis[3-(5-methoxy-1H-indol-3-yl)-, stereoisomer
Bicyclo[2.2.1]heptan-2-amine, N,N'-(1,3-phenylene)bis[3-(5-methoxy-1H-indol-3-yl)-, stereoisomer
stereoisomer of NSC 674066-O
stereoisomer of NSC 674067-P

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

NCI60_026217 [DBID]
NCI60_026218 [DBID]
NSC674066 [DBID]
NSC674067 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 184.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 10.43
ACD/KOC (pH 5.5): 12.74
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 13.70
ACD/KOC (pH 7.4): 16.74
Polar Surface Area: 74 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 481.5±5.0 cm3

Click to predict properties on the Chemicalize site


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