ChemSpider 2D Image | ter | C47H54N6O10S2

ter

  • Molecular FormulaC47H54N6O10S2
  • Average mass927.096 Da
  • Monoisotopic mass926.334290 Da
  • ChemSpider ID19603533

More details:

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

{1-[2-[1-(6-Ethoxy-benzothiazole-2-sulfonylaminocarbonyl)-2-vinyl-cyclopropylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl}-carbamic acid tert-butyl es
3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl-N-(1-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfonyl]carbamoyl}-2-vinylcyclopropyl)-4-[(7-methoxy-2-phenyl-4-chinolinyl)oxy]prolinamid [German] [ACD/IUPAC Name]
3-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}valyl-N-(1-{[(6-éthoxy-1,3-benzothiazol-2-yl)sulfonyl]carbamoyl}-2-vinylcyclopropyl)-4-[(7-méthoxy-2-phényl-4-quinoléinyl)oxy]prolinamide [French] [ACD/IUPAC Name]
3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl-N-(1-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfonyl]carbamoyl}-2-vinylcyclopropyl)-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]prolinamide [ACD/IUPAC Name]
Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-3-methylvalyl-N-[2-ethenyl-1-[[[(6-ethoxy-2-benzothiazolyl)sulfonyl]amino]carbonyl]cyclopropyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]- [ACD/Index Name]
ter

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: 1.659
Molar Refractivity: 247.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 190.13
ACD/KOC (pH 5.5): 356.09
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 285.20
ACD/KOC (pH 7.4): 534.13
Polar Surface Area: 241 Å2
Polarizability: 98.1±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 671.5±5.0 cm3

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