ChemSpider 2D Image | GSK-1004723 | C39H49ClN4O2

GSK-1004723

  • Molecular FormulaC39H49ClN4O2
  • Average mass641.285 Da
  • Monoisotopic mass640.354431 Da
  • ChemSpider ID26345044

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-[4-[4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl]butyl]-2-pyrrolidinyl]methyl]- [ACD/Index Name]
2-{[(2R)-1-(4-{4-[3-(1-Azepanyl)propoxy]phenyl}butyl)-2-pyrrolidinyl]methyl}-4-(4-chlorbenzyl)-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
2-{[(2R)-1-(4-{4-[3-(1-Azépanyl)propoxy]phényl}butyl)-2-pyrrolidinyl]méthyl}-4-(4-chlorobenzyl)-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
2-{[(2R)-1-(4-{4-[3-(1-Azepanyl)propoxy]phenyl}butyl)-2-pyrrolidinyl]methyl}-4-(4-chlorobenzyl)-1(2H)-phthalazinone [ACD/IUPAC Name]
955359-72-5 [RN]
GSK-1004723
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(((2R)-1-(4-(4-(3-(hexahydro-1H-azepin-1-yl)propoxy)phenyl)butyl)-2-pyrrolidinyl)methyl)-
2-[[(2R)-1-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]butyl]pyrrolidin-2-yl]methyl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one
932373-87-0(free base)
GSK-1034702

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

S08212J4ZR [DBID]
UNII:S08212J4ZR [DBID]
UNII-S08212J4ZR [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 763.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.3±35.7 °C
Index of Refraction: 1.619
Molar Refractivity: 188.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 16.86
ACD/KOC (pH 5.5): 17.98
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 23.78
ACD/KOC (pH 7.4): 25.35
Polar Surface Area: 48 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 538.2±7.0 cm3

Click to predict properties on the Chemicalize site


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