ChemSpider 2D Image | 2-{[3-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}benzoic acid | C23H20N2O5S

2-{[3-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}benzoic acid

  • Molecular FormulaC23H20N2O5S
  • Average mass436.480 Da
  • Monoisotopic mass436.109283 Da
  • ChemSpider ID24404108

More details:

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

2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
2-{[3-(3,4-Dihydro-2(1H)-isochinolinylsulfonyl)benzoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[3-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-{[3-(3,4-dihydro-2(1H)-isoquinoléinylsulfonyl)benzoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[3-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]amino]- [ACD/Index Name]
2-[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]benzoic acid
2-[3-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)benzamido]benzoic acid
2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzene]amido}benzoic acid
GW 9371

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 25.81
ACD/KOC (pH 5.5): 93.91
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 8.37
Polar Surface Area: 112 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 306.0±3.0 cm3

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