ChemSpider 2D Image | (2S)-2-({(2R)-3-(4-Biphenylyl)-2-[(ethylsulfonyl)amino]propanoyl}amino)-N~1~-(4-carbamimidoylbenzyl)pentanediamide | C30H36N6O5S

(2S)-2-({(2R)-3-(4-Biphenylyl)-2-[(ethylsulfonyl)amino]propanoyl}amino)-N1-(4-carbamimidoylbenzyl)pentanediamide

  • Molecular FormulaC30H36N6O5S
  • Average mass592.709 Da
  • Monoisotopic mass592.246765 Da
  • ChemSpider ID4484170

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-({(2R)-3-(4-Biphenylyl)-2-[(ethylsulfonyl)amino]propanoyl}amino)-N1-(4-carbamimidoylbenzyl)pentandiamid [German] [ACD/IUPAC Name]
(2S)-2-({(2R)-3-(4-Biphenylyl)-2-[(ethylsulfonyl)amino]propanoyl}amino)-N1-(4-carbamimidoylbenzyl)pentanediamide [ACD/IUPAC Name]
(2S)-2-({(2R)-3-(4-Biphénylyl)-2-[(éthylsulfonyl)amino]propanoyl}amino)-N1-(4-carbamimidoylbenzyl)pentanediamide [French] [ACD/IUPAC Name]
2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)
3BP

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 160.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.54
Polar Surface Area: 206 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 444.8±7.0 cm3

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