ChemSpider 2D Image | N,N-Bis[3-(dimethylamino)propyl]-4-[(diphenylmethyl)amino]-3-nitrobenzenesulfonamide | C29H39N5O4S

N,N-Bis[3-(dimethylamino)propyl]-4-[(diphenylmethyl)amino]-3-nitrobenzenesulfonamide

  • Molecular FormulaC29H39N5O4S
  • Average mass553.716 Da
  • Monoisotopic mass553.272278 Da
  • ChemSpider ID9459297

More details:

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

Benzenesulfonamide, N,N-bis[3-(dimethylamino)propyl]-4-[(diphenylmethyl)amino]-3-nitro- [ACD/Index Name]
N,N-Bis[3-(dimethylamino)propyl]-4-[(diphenylmethyl)amino]-3-nitrobenzenesulfonamide [ACD/IUPAC Name]
N,N-Bis[3-(diméthylamino)propyl]-4-[(diphénylméthyl)amino]-3-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]
N,N-Bis[3-(dimethylamino)propyl]-4-[(diphenylmethyl)amino]-3-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
4-(Benzhydryl-amino)-N,N-bis-(3-dimethylamino-propyl)-3-nitro-benzenesulfonamide
CHEMBL185068

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.2±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 157.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 2.80
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 4.43
ACD/KOC (pH 7.4): 9.89
Polar Surface Area: 110 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 457.4±3.0 cm3

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