ChemSpider 2D Image | CGP-71683A FREE BASE | C26H29N5O2S

CGP-71683A FREE BASE

  • Molecular FormulaC26H29N5O2S
  • Average mass475.606 Da
  • Monoisotopic mass475.204193 Da
  • ChemSpider ID21542545
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

192321-23-6 [RN]
1-Naphthalenesulfonamide, N-[[trans-4-[[(4-amino-2-quinazolinyl)amino]methyl]cyclohexyl]methyl]- [ACD/Index Name]
CGP-71683A FREE BASE
N-[(trans-4-{[(4-Amino-2-chinazolinyl)amino]methyl}cyclohexyl)methyl]-1-naphthalinsulfonamid [German] [ACD/IUPAC Name]
N-[(trans-4-{[(4-Amino-2-quinazolinyl)amino]méthyl}cyclohexyl)méthyl]-1-naphtalènesulfonamide [French] [ACD/IUPAC Name]
N-[(trans-4-{[(4-Amino-2-quinazolinyl)amino]methyl}cyclohexyl)methyl]-1-naphthalenesulfonamide [ACD/IUPAC Name]
CGP 71683
CGP-71683A
CHEMBL17645
N-[(4-{[(4-Aminoquinazolin-2-yl)amino]methyl}cyclohexyl)methyl]naphthalene-1-sulfonamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

E4901JA9JD [DBID]
UNII:E4901JA9JD [DBID]
UNII-E4901JA9JD [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 731.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.4±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 25.50
ACD/KOC (pH 5.5): 77.77
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 639.87
ACD/KOC (pH 7.4): 1951.57
Polar Surface Area: 118 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 364.4±3.0 cm3

Click to predict properties on the Chemicalize site






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