ChemSpider 2D Image | N-[3-({[(3S,5S)-5-{[(3-{[Imino(2-thienyl)methyl]amino}benzyl)oxy]methyl}-3-pyrrolidinyl]oxy}methyl)phenyl]-2-thiophenecarboximidamide | C29H31N5O2S2

N-[3-({[(3S,5S)-5-{[(3-{[Imino(2-thienyl)methyl]amino}benzyl)oxy]methyl}-3-pyrrolidinyl]oxy}methyl)phenyl]-2-thiophenecarboximidamide

  • Molecular FormulaC29H31N5O2S2
  • Average mass545.719 Da
  • Monoisotopic mass545.191895 Da
  • ChemSpider ID35035565

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenecarboximidamide, N-[3-[[[(3S,5S)-5-[[[3-[(imino-2-thienylmethyl)amino]phenyl]methoxy]methyl]-3-pyrrolidinyl]oxy]methyl]phenyl]- [ACD/Index Name]
N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide
N-[3-({[(3S,5S)-5-{[(3-{[Imino(2-thienyl)methyl]amino}benzyl)oxy]methyl}-3-pyrrolidinyl]oxy}methyl)phenyl]-2-thiophencarboximidamid [German] [ACD/IUPAC Name]
N-[3-({[(3S,5S)-5-{[(3-{[Imino(2-thienyl)methyl]amino}benzyl)oxy]methyl}-3-pyrrolidinyl]oxy}methyl)phenyl]-2-thiophenecarboximidamide [ACD/IUPAC Name]
N-[3-({[(3S,5S)-5-{[(3-{[Imino(2-thiényl)méthyl]amino}benzyl)oxy]méthyl}-3-pyrrolidinyl]oxy}méthyl)phényl]-2-thiophènecarboximidamide [French] [ACD/IUPAC Name]
6E5
N-[3-({[(3s,5s)-5-{[(3-{[(Z)-Imino(Thiophen-2-Yl)methyl]amino}benzyl)oxy]methyl} Pyrrolidin-3-Yl]oxy}methyl)phenyl]thiophene-2-Carboximidamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.8±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 154.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.24
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 25.37
Polar Surface Area: 159 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 405.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement