ChemSpider 2D Image | 4-({3-[1-(3,4-Dimethoxybenzoyl)-4-piperidinyl]-2,5-dioxo-4-imidazolidinyl}methyl)phenyl 5-isoquinolinesulfonate | C33H32N4O8S

4-({3-[1-(3,4-Dimethoxybenzoyl)-4-piperidinyl]-2,5-dioxo-4-imidazolidinyl}methyl)phenyl 5-isoquinolinesulfonate

  • Molecular FormulaC33H32N4O8S
  • Average mass644.694 Da
  • Monoisotopic mass644.194092 Da
  • ChemSpider ID58986359

More details:

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

4-({3-[1-(3,4-Dimethoxybenzoyl)-4-piperidinyl]-2,5-dioxo-4-imidazolidinyl}methyl)phenyl 5-isoquinolinesulfonate [ACD/IUPAC Name]
4-({3-[1-(3,4-Dimethoxybenzoyl)-4-piperidinyl]-2,5-dioxo-4-imidazolidinyl}methyl)phenyl-5-isochinolinsulfonat [German] [ACD/IUPAC Name]
5-Isoquinoléinesulfonate de 4-({3-[1-(3,4-diméthoxybenzoyl)-4-pipéridinyl]-2,5-dioxo-4-imidazolidinyl}méthyl)phényle [French] [ACD/IUPAC Name]
5-Isoquinolinesulfonic acid, 4-[[3-[1-(3,4-dimethoxybenzoyl)-4-piperidinyl]-2,5-dioxo-4-imidazolidinyl]methyl]phenyl 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: 1.647
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.52
ACD/KOC (pH 5.5): 1366.48
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 161.83
ACD/KOC (pH 7.4): 1304.44
Polar Surface Area: 153 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 464.3±3.0 cm3

Click to predict properties on the Chemicalize site


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