ChemSpider 2D Image | (4Z)-6-Bromo-4-({[4-(1-pyrrolidinylmethyl)phenyl]amino}methylene)-1,3(2H,4H)-isoquinolinedione | C21H20BrN3O2

(4Z)-6-Bromo-4-({[4-(1-pyrrolidinylmethyl)phenyl]amino}methylene)-1,3(2H,4H)-isoquinolinedione

  • Molecular FormulaC21H20BrN3O2
  • Average mass426.306 Da
  • Monoisotopic mass425.073883 Da
  • ChemSpider ID22376320

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-6-Brom-4-({[4-(1-pyrrolidinylmethyl)phenyl]amino}methylen)-1,3(2H,4H)-isochinolindion [German] [ACD/IUPAC Name]
(4Z)-6-Bromo-4-({[4-(1-pyrrolidinylméthyl)phényl]amino}méthylène)-1,3(2H,4H)-isoquinoléinedione [French] [ACD/IUPAC Name]
(4Z)-6-Bromo-4-({[4-(1-pyrrolidinylmethyl)phenyl]amino}methylene)-1,3(2H,4H)-isoquinolinedione [ACD/IUPAC Name]
(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
1,3(2H,4H)-Isoquinolinedione, 6-bromo-4-[[[4-(1-pyrrolidinylmethyl)phenyl]amino]methylene]-, (4Z)- [ACD/Index Name]
(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)-2H-isoquinoline-1,3-dione
6-bromo-4-((4-(pyrrolidin-1-ylmethyl)phenylamino)methylene)isoquinoline-1,3(2H,4H)-dione
isoquinolinedione, 1

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

575 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 602.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.3±31.5 °C
Index of Refraction: 1.734
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.02
Polar Surface Area: 61 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 274.7±3.0 cm3

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