ChemSpider 2D Image | N-[(4-{[(2R)-4-(Dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)benzamide | C32H41N5O5S2

N-[(4-{[(2R)-4-(Dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)benzamide

  • Molecular FormulaC32H41N5O5S2
  • Average mass639.828 Da
  • Monoisotopic mass639.254883 Da
  • ChemSpider ID9731218
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzamide, N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)- [ACD/Index Name]
N-[(4-{[(2R)-4-(Dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)benzamid [German] [ACD/IUPAC Name]
N-[(4-{[(2R)-4-(Dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)benzamide [ACD/IUPAC Name]
N-[(4-{[(2R)-4-(Diméthylamino)-1-(phénylsulfanyl)-2-butanyl]amino}-3-nitrophényl)sulfonyl]-4-(4,4-diméthyl-1-pipéridinyl)benzamide [French] [ACD/IUPAC Name]
N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
(R)-N-(4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrophenylsulfonyl)-4-(4,4-dimethylpiperidin-1-yl)benzamide
4-((R)-3-dimethylamino-1-phenylsulfanylmethylpropylamino)-N-[4-(4,4-dimethylpiperidin-1-yl)benzoyl]-3-nitrobenzenesulfonamide
406228-55-5 [RN]
A-385358
N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4,4-dimethylpiperidin-1-yl)benzamide
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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: 1.649
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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