ChemSpider 2D Image | Isopropyl 1-({4-[4-({2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-4-yl)oxy]propyl}amino)-1-piperidinyl]phenyl}sulfonyl)prolinate | C29H39N5O7S

Isopropyl 1-({4-[4-({2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-4-yl)oxy]propyl}amino)-1-piperidinyl]phenyl}sulfonyl)prolinate

  • Molecular FormulaC29H39N5O7S
  • Average mass601.714 Da
  • Monoisotopic mass601.257019 Da
  • ChemSpider ID8407919

More details:

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

1-({4-[4-({2-Hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-4-yl)oxy]propyl}amino)-1-pipéridinyl]phényl}sulfonyl)prolinate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 1-({4-[4-({2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-4-yl)oxy]propyl}amino)-1-piperidinyl]phenyl}sulfonyl)prolinate [ACD/IUPAC Name]
Isopropyl-1-({4-[4-({2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-4-yl)oxy]propyl}amino)-1-piperidinyl]phenyl}sulfonyl)prolinat [German] [ACD/IUPAC Name]
Proline, 1-[[4-[4-[[3-[(2,3-dihydro-2-oxo-1H-benzimidazol-4-yl)oxy]-2-hydroxypropyl]amino]-1-piperidinyl]phenyl]sulfonyl]-, 1-methylethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.07
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 16.37
Polar Surface Area: 158 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 428.0±5.0 cm3

Click to predict properties on the Chemicalize site


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