ChemSpider 2D Image | 2-[3-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)propoxy]-4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]amino}benzoic acid | C37H43N3O6S

2-[3-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)propoxy]-4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]amino}benzoic acid

  • Molecular FormulaC37H43N3O6S
  • Average mass657.819 Da
  • Monoisotopic mass657.287231 Da
  • ChemSpider ID116672

More details:

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

2-[3-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)propoxy]-4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]amino}benzoic acid [ACD/IUPAC Name]
2-[3-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)propoxy]-4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalinyl)carbonyl]amino}benzoesäure [German] [ACD/IUPAC Name]
Acide 2-[3-({[5-(diméthylamino)-1-naphtyl]sulfonyl}amino)propoxy]-4-{[(5,5,8,8-tétraméthyl-5,6,7,8-tétrahydro-2-naphtalényl)carbonyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[3-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]propoxy]-4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]- [ACD/Index Name]
137550-88-0 [RN]
2-(3-(((5-(Dimethylamino)-1-naphthalenyl)sulfonyl)amino)propoxy)-4-(((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl)amino)benzoic acid
2-(3-(5-dimethylaminonaphthalene-1-sulfonyl)aminopropyl-1-oxyl)-4-((5,6,7,8-tetrahydro-5,5,8,8-tetra
2-(3-(5-Dimethylaminonaphthalene-1-sulfonyl)aminopropyl-1-oxyl)-4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carboxamido)benzoic acid
2-[3-[[5-(Dimethylamino)naphthalen-1-yl]sulfonylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
Benzoic acid, 2-(3-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)propoxy)-4-(((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl)amino)-

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 184.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 4312.95
ACD/KOC (pH 5.5): 3408.73
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 480.19
ACD/KOC (pH 7.4): 379.52
Polar Surface Area: 133 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 528.6±3.0 cm3

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