Found 1 result

Search term: CN(C)CCCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(4-{[4-({[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]carbamoyl}amino)phenyl]amino}quinazolin-6-Yl)-4-(Dimethylamino)butanamide | C34H40N10O2

N-(4-{[4-({[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]carbamoyl}amino)phenyl]amino}quinazolin-6-Yl)-4-(Dimethylamino)butanamide

  • Molecular FormulaC34H40N10O2
  • Average mass620.747 Da
  • Monoisotopic mass620.333557 Da
  • ChemSpider ID30831848

More details:

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

Butanamide, N-[4-[[4-[[[[1-(3-aminophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]amino]carbonyl]amino]phenyl]amino]-6-quinazolinyl]-4-(dimethylamino)- [ACD/Index Name]
N-(4-{[4-({[1-(3-Aminophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}-6-chinazolinyl)-4-(dimethylamino)butanamid [German] [ACD/IUPAC Name]
N-(4-{[4-({[1-(3-Aminophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}-6-quinazolinyl)-4-(dimethylamino)butanamide [ACD/IUPAC Name]
N-(4-{[4-({[1-(3-Aminophényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)phényl]amino}-6-quinazolinyl)-4-(diméthylamino)butanamide [French] [ACD/IUPAC Name]
N-(4-{[4-({[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]carbamoyl}amino)phenyl]amino}quinazolin-6-Yl)-4-(Dimethylamino)butanamide
1,4-Hybrid, 6
AQB

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

Density: 1.3±0.1 g/cm3
Boiling Point: 778.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.5±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 179.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.72
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 5.32
ACD/KOC (pH 7.4): 31.88
Polar Surface Area: 155 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 483.0±7.0 cm3

Click to predict properties on the Chemicalize site


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