ChemSpider 2D Image | Top-1288 | C43H49N7O9S

Top-1288

  • Molecular FormulaC43H49N7O9S
  • Average mass839.956 Da
  • Monoisotopic mass839.331238 Da
  • ChemSpider ID58930201

More details:

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

3-Ethinyl-N-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}-5-{[4-({4-[({2-methoxy-5-(2-methyl-2-propanyl)-3-[(methylsulfonyl)amino]phenyl}carbamoyl)amino]-1-naphthyl}oxy)-2-pyrimidinyl]amino}benzamid [German] [ACD/IUPAC Name]
3-Ethynyl-N-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}-5-{[4-({4-[({2-methoxy-5-(2-methyl-2-propanyl)-3-[(methylsulfonyl)amino]phenyl}carbamoyl)amino]-1-naphthyl}oxy)-2-pyrimidinyl]amino}benzamide [ACD/IUPAC Name]
3-Éthynyl-N-{2-[2-(2-méthoxyéthoxy)éthoxy]éthyl}-5-{[4-({4-[({2-méthoxy-5-(2-méthyl-2-propanyl)-3-[(méthylsulfonyl)amino]phényl}carbamoyl)amino]-1-naphtyl}oxy)-2-pyrimidinyl]amino}benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[[4-[[4-[[[[5-(1,1-dimethylethyl)-2-methoxy-3-[(methylsulfonyl)amino]phenyl]amino]carbonyl]amino]-1-naphthalenyl]oxy]-2-pyrimidinyl]amino]-5-ethynyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl] - [ACD/Index Name]
Top-1288
1630202-02-6 [RN]
19ZTZ9YC4O

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 226.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10019.46
ACD/KOC (pH 5.5): 25312.98
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9920.25
ACD/KOC (pH 7.4): 25062.34
Polar Surface Area: 209 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 622.0±5.0 cm3

Click to predict properties on the Chemicalize site


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