ChemSpider 2D Image | 3-(3-[4-(2-Aminoethyl)-1-piperidinyl]-2-{[(4'-isopropoxy-3-biphenylyl)sulfonyl]amino}-3-oxopropyl)benzenecarboximidamide | C32H41N5O4S

3-(3-[4-(2-Aminoethyl)-1-piperidinyl]-2-{[(4'-isopropoxy-3-biphenylyl)sulfonyl]amino}-3-oxopropyl)benzenecarboximidamide

  • Molecular FormulaC32H41N5O4S
  • Average mass591.764 Da
  • Monoisotopic mass591.287903 Da
  • ChemSpider ID24708558

More details:

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

3-(3-[4-(2-Aminoethyl)-1-piperidinyl]-2-{[(4'-isopropoxy-3-biphenylyl)sulfonyl]amino}-3-oxopropyl)benzenecarboximidamide [ACD/IUPAC Name]
3-(3-[4-(2-Aminoéthyl)-1-pipéridinyl]-2-{[(4'-isopropoxy-3-biphénylyl)sulfonyl]amino}-3-oxopropyl)benzènecarboximidamide [French] [ACD/IUPAC Name]
3-(3-[4-(2-Aminoethyl)-1-piperidinyl]-2-{[(4'-isopropoxy-3-biphenylyl)sulfonyl]amino}-3-oxopropyl)benzolcarboximidamid [German] [ACD/IUPAC Name]
Benzenecarboximidamide, 3-[3-[4-(2-aminoethyl)-1-piperidinyl]-2-[[[4'-(1-methylethoxy)[1,1'-biphenyl]-3-yl]sulfonyl]amino]-3-oxopropyl]- [ACD/Index Name]
CHEMBL499200
US8569313, 14

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

Density: 1.3±0.1 g/cm3
Boiling Point: 808.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 443.0±37.1 °C
Index of Refraction: 1.631
Molar Refractivity: 164.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.89
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 460.9±7.0 cm3

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