ChemSpider 2D Image | 7-(4-{[(4-{[(2R)-4-(Dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(1-naphthyloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid | C47H46N6O8S2

7-(4-{[(4-{[(2R)-4-(Dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(1-naphthyloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid

  • Molecular FormulaC47H46N6O8S2
  • Average mass887.034 Da
  • Monoisotopic mass886.281860 Da
  • ChemSpider ID31135711
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

7-(4-{[(4-{[(2R)-4-(Dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(1-naphthyloxy)propyl]pyrazolo[1,5-a]pyridin-2-carbonsäure [German] [ACD/IUPAC Name]
7-(4-{[(4-{[(2R)-4-(Dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(1-naphthyloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid [ACD/IUPAC Name]
7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
Acide 7-(4-{[(4-{[(2R)-4-(diméthylamino)-1-(phénylsulfanyl)-2-butanyl]amino}-3-nitrophényl)sulfonyl]carbamoyl}-2-méthylphényl)-3-[3-(1-naphtyloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylique [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyridine-2-carboxylic acid, 7-[4-[[[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]amino]carbonyl]-2-methylphenyl]-3-[3-(1-naphthalenyloxy)propyl ]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 245.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 10.75
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 3638.99
ACD/KOC (pH 5.5): 1365.17
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 2636.79
ACD/KOC (pH 7.4): 989.20
Polar Surface Area: 222 Å2
Polarizability: 97.1±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 658.4±7.0 cm3

Click to predict properties on the Chemicalize site






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