ChemSpider 2D Image | N-{3-[(1S)-1-Hydroxy-2-(3-{[imino(2-thienyl)methyl]amino}phenoxy)ethyl]phenyl}-2-thiophenecarboximidamide | C24H22N4O2S2

N-{3-[(1S)-1-Hydroxy-2-(3-{[imino(2-thienyl)methyl]amino}phenoxy)ethyl]phenyl}-2-thiophenecarboximidamide

  • Molecular FormulaC24H22N4O2S2
  • Average mass462.587 Da
  • Monoisotopic mass462.118408 Da
  • ChemSpider ID35034308

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiophenecarboximidamide, N-[3-[(1S)-1-hydroxy-2-[3-[(imino-2-thienylmethyl)amino]phenoxy]ethyl]phenyl]- [ACD/Index Name]
N-{3-[(1S)-1-Hydroxy-2-(3-{[imino(2-thienyl)methyl]amino}phenoxy)ethyl]phenyl}-2-thiophencarboximidamid [German] [ACD/IUPAC Name]
N-{3-[(1S)-1-Hydroxy-2-(3-{[imino(2-thienyl)methyl]amino}phenoxy)ethyl]phenyl}-2-thiophenecarboximidamide [ACD/IUPAC Name]
N-{3-[(1S)-1-Hydroxy-2-(3-{[imino(2-thiényl)méthyl]amino}phénoxy)éthyl]phényl}-2-thiophènecarboximidamide [French] [ACD/IUPAC Name]
N-{3-[(1s)-2-(3-{(Z)-[amino(Thiophen-2-Yl)methylidene]amino}phenoxy)-1-Hydroxyethyl]phenyl}thiophene-2-Carboximidamide
RFQ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.1±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.17
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 183.88
ACD/KOC (pH 7.4): 1071.02
Polar Surface Area: 158 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 340.3±7.0 cm3

Click to predict properties on the Chemicalize site


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