ChemSpider 2D Image | 3-[(2S)-3-[4-(2-Aminoethyl)-1-piperidinyl]-2-{[(2',4'-dichloro-3-biphenylyl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide | C29H33Cl2N5O3S

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

  • Molecular FormulaC29H33Cl2N5O3S
  • Average mass602.575 Da
  • Monoisotopic mass601.168091 Da
  • ChemSpider ID34223976
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-[(2S)-3-[4-(2-Aminoethyl)-1-piperidinyl]-2-{[(2',4'-dichlor-3-biphenylyl)sulfonyl]amino}-3-oxopropyl]benzolcarboximidamid [German] [ACD/IUPAC Name]
3-[(2S)-3-[4-(2-Aminoethyl)-1-piperidinyl]-2-{[(2',4'-dichloro-3-biphenylyl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide [ACD/IUPAC Name]
3-[(2S)-3-[4-(2-Aminoéthyl)-1-pipéridinyl]-2-{[(2',4'-dichloro-3-biphénylyl)sulfonyl]amino}-3-oxopropyl]benzènecarboximidamide [French] [ACD/IUPAC Name]
3-[(2s)-3-[4-(2-Aminoethyl)piperidin-1-Yl]-2-{[(2',4'-Dichlorobiphenyl-3-Yl)sulfonyl]amino}-3-Oxopropyl]benzenecarboximidamide
Benzenecarboximidamide, 3-[(2S)-3-[4-(2-aminoethyl)-1-piperidinyl]-2-[[(2',4'-dichloro[1,1'-biphenyl]-3-yl)sulfonyl]amino]-3-oxopropyl]- [ACD/Index Name]
0NW

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 802.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.9±37.1 °C
Index of Refraction: 1.666
Molar Refractivity: 158.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 426.6±7.0 cm3

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