ChemSpider 2D Image | N~1~,N~1~-Dimethyl-N~4~-(2-{[4-(methylsulfonyl)-2-nitrophenyl]amino}ethyl)-1,4-piperidinedicarboxamide | C18H27N5O6S

N1,N1-Dimethyl-N4-(2-{[4-(methylsulfonyl)-2-nitrophenyl]amino}ethyl)-1,4-piperidinedicarboxamide

  • Molecular FormulaC18H27N5O6S
  • Average mass441.502 Da
  • Monoisotopic mass441.168213 Da
  • ChemSpider ID68180155

More details:

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

1,4-Piperidinedicarboxamide, N1,N1-dimethyl-N4-[2-[[4-(methylsulfonyl)-2-nitrophenyl]amino]ethyl]- [ACD/Index Name]
N1,N1-Dimethyl-N4-(2-{[4-(methylsulfonyl)-2-nitrophenyl]amino}ethyl)-1,4-piperidindicarboxamid [German] [ACD/IUPAC Name]
N1,N1-Dimethyl-N4-(2-{[4-(methylsulfonyl)-2-nitrophenyl]amino}ethyl)-1,4-piperidinedicarboxamide [ACD/IUPAC Name]
N1,N1-Diméthyl-N4-(2-{[4-(méthylsulfonyl)-2-nitrophényl]amino}éthyl)-1,4-pipéridinedicarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.8±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 57.19
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 57.20
Polar Surface Area: 153 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 326.6±3.0 cm3

Click to predict properties on the Chemicalize site


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