ChemSpider 2D Image | N-[(1E)-1-{2-[4-(Dimethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]tetrahydro-1(2H)-pyrimidinyl}-2-(1-pyrrolidinyl)ethylidene]-4-methylbenzenesulfonamide | C32H41N5O4S2

N-[(1E)-1-{2-[4-(Dimethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]tetrahydro-1(2H)-pyrimidinyl}-2-(1-pyrrolidinyl)ethylidene]-4-methylbenzenesulfonamide

  • Molecular FormulaC32H41N5O4S2
  • Average mass623.829 Da
  • Monoisotopic mass623.260010 Da
  • ChemSpider ID68682512

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzenesulfonamide, N-[(1E)-1-[2-[4-(dimethylamino)phenyl]tetrahydro-3-[(4-methylphenyl)sulfonyl]-1(2H)-pyrimidinyl]-2-(1-pyrrolidinyl)ethylidene]-4-methyl- [ACD/Index Name]
N-[(1E)-1-{2-[4-(Dimethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]tetrahydro-1(2H)-pyrimidinyl}-2-(1-pyrrolidinyl)ethyliden]-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-[(1E)-1-{2-[4-(Dimethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]tetrahydro-1(2H)-pyrimidinyl}-2-(1-pyrrolidinyl)ethylidene]-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-[(1E)-1-{2-[4-(Diméthylamino)phényl]-3-[(4-méthylphényl)sulfonyl]tétrahydro-1(2H)-pyrimidinyl}-2-(1-pyrrolidinyl)éthylidène]-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.8±35.7 °C
Index of Refraction: 1.634
Molar Refractivity: 174.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 45.85
ACD/KOC (pH 5.5): 220.35
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 943.49
ACD/KOC (pH 7.4): 4534.52
Polar Surface Area: 110 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 489.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement