ChemSpider 2D Image | 4-{[6-{4-[(3,5-Dimethyladamantan-1-yl)carbonyl]-1-piperazinyl}-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}phenyl 5-isoquinolinesulfonate | C37H41N5O6S

4-{[6-{4-[(3,5-Dimethyladamantan-1-yl)carbonyl]-1-piperazinyl}-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}phenyl 5-isoquinolinesulfonate

  • Molecular FormulaC37H41N5O6S
  • Average mass683.816 Da
  • Monoisotopic mass683.277771 Da
  • ChemSpider ID76826423

More details:

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

4-{[6-{4-[(3,5-Dimethyladamantan-1-yl)carbonyl]-1-piperazinyl}-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}phenyl 5-isoquinolinesulfonate [ACD/IUPAC Name]
4-{[6-{4-[(3,5-Dimethyladamantan-1-yl)carbonyl]-1-piperazinyl}-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}phenyl-5-isochinolinsulfonat [German] [ACD/IUPAC Name]
5-Isoquinoléinesulfonate de 4-{[6-{4-[(3,5-diméthyladamantan-1-yl)carbonyl]-1-pipérazinyl}-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]méthyl}phényle [French] [ACD/IUPAC Name]
5-Isoquinolinesulfonic acid, 4-[[6-[4-[(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)carbonyl]-1-piperazinyl]-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl]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: 1.676
Molar Refractivity: 184.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 428.99
ACD/KOC (pH 5.5): 1857.88
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1039.12
ACD/KOC (pH 7.4): 4500.27
Polar Surface Area: 138 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 490.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement