ChemSpider 2D Image | 1-({1-[1,3-Dioxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-4-yl]-3-piperidinyl}carbonyl)-N,N-diethyl-3-piperidinecarboxamide | C29H36N4O4S

1-({1-[1,3-Dioxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-4-yl]-3-piperidinyl}carbonyl)-N,N-diethyl-3-piperidinecarboxamide

  • Molecular FormulaC29H36N4O4S
  • Average mass536.685 Da
  • Monoisotopic mass536.245728 Da
  • ChemSpider ID22237231

More details:

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

1-({1-[1,3-Dioxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-4-yl]-3-piperidinyl}carbonyl)-N,N-diethyl-3-piperidincarboxamid [German] [ACD/IUPAC Name]
1-({1-[1,3-Dioxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-4-yl]-3-piperidinyl}carbonyl)-N,N-diethyl-3-piperidinecarboxamide [ACD/IUPAC Name]
1-({1-[1,3-Dioxo-2-(2-thiénylméthyl)-2,3-dihydro-1H-isoindol-4-yl]-3-pipéridinyl}carbonyl)-N,N-diéthyl-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-[[1-[2,3-dihydro-1,3-dioxo-2-(2-thienylmethyl)-1H-isoindol-4-yl]-3-piperidinyl]carbonyl]-N,N-diethyl- [ACD/Index 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: 743.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.2±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.88
ACD/KOC (pH 5.5): 1327.13
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.91
ACD/KOC (pH 7.4): 1327.40
Polar Surface Area: 109 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 415.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement