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Search term: ZDPYBEDRXAIDAE (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-[3-(1H-Imidazol-1-yl)propyl]-5-oxo-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-pyrrolidinecarboxamide | C21H27N5O4S

N-[3-(1H-Imidazol-1-yl)propyl]-5-oxo-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-pyrrolidinecarboxamide

  • Molecular FormulaC21H27N5O4S
  • Average mass445.535 Da
  • Monoisotopic mass445.178375 Da
  • ChemSpider ID26036198

More details:






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

3-Pyrrolidinecarboxamide, N-[3-(1H-imidazol-1-yl)propyl]-5-oxo-1-[4-(1-pyrrolidinylsulfonyl)phenyl]- [ACD/Index Name]
N-[3-(1H-Imidazol-1-yl)propyl]-5-oxo-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-[3-(1H-Imidazol-1-yl)propyl]-5-oxo-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-[3-(1H-Imidazol-1-yl)propyl]-5-oxo-1-[4-(1-pyrrolidinylsulfonyl)phényl]-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1190275-87-6 [RN]
C21H27N5O4S
N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
N-[3-(1H-imidazol-1-yl)propyl]-5-oxo-1-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrrolidine-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.38
Polar Surface Area: 113 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 313.0±7.0 cm3

Click to predict properties on the Chemicalize site






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