ChemSpider 2D Image | 4-(3-dimethylamino-1-phenylsulfanylmethylpropylamino)-N-(4-(4,4-dimethylpiperidin-1-yl)benzoyl)-3-nitrobenzenesulfonamide | C32H41N5O5S2

4-(3-dimethylamino-1-phenylsulfanylmethylpropylamino)-N-(4-(4,4-dimethylpiperidin-1-yl)benzoyl)-3-nitrobenzenesulfonamide

  • Molecular FormulaC32H41N5O5S2
  • Average mass639.828 Da
  • Monoisotopic mass639.254883 Da
  • ChemSpider ID11604582

More details:

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

4-(3-dimethylamino-1-phenylsulfanylmethylpropylamino)-N-(4-(4,4-dimethylpiperidin-1-yl)benzoyl)-3-nitrobenzenesulfonamide
Benzamide, N-[[4-[[3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)- [ACD/Index Name]
N-[(4-{[4-(Dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)benzamid [German] [ACD/IUPAC Name]
N-[(4-{[4-(Dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)benzamide [ACD/IUPAC Name]
N-[(4-{[4-(Diméthylamino)-1-(phénylsulfanyl)-2-butanyl]amino}-3-nitrophényl)sulfonyl]-4-(4,4-diméthyl-1-pipéridinyl)benzamide [French] [ACD/IUPAC Name]
406228-55-5 [RN]
A-385358

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 177.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.60
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 26.84
ACD/KOC (pH 5.5): 45.69
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 122.77
ACD/KOC (pH 7.4): 209.05
Polar Surface Area: 161 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 485.8±5.0 cm3

Click to predict properties on the Chemicalize site


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