ChemSpider 2D Image | Nalpha-{[2-(2-Furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-(3-{4-[(methylsulfonyl)amino]phenyl}propyl)tyrosinamide | C33H32N4O8S

Nα-{[2-(2-Furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-(3-{4-[(methylsulfonyl)amino]phenyl}propyl)tyrosinamide

  • Molecular FormulaC33H32N4O8S
  • Average mass644.694 Da
  • Monoisotopic mass644.194092 Da
  • ChemSpider ID121197204

More details:

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

1H-Isoindole-5-carboxamide, 2-(2-furanylmethyl)-2,3-dihydro-N-[1-[(4-hydroxyphenyl)methyl]-2-[[3-[4-[(methylsulfonyl)amino]phenyl]propyl]amino]-2-oxoethyl]-1,3-dioxo- [ACD/Index Name]
Nα-{[2-(2-Furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-(3-{4-[(methylsulfonyl)amino]phenyl}propyl)tyrosinamid [German] [ACD/IUPAC Name]
Nα-{[2-(2-Furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-(3-{4-[(methylsulfonyl)amino]phenyl}propyl)tyrosinamide [ACD/IUPAC Name]
Nα-{[2-(2-Furylméthyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-(3-{4-[(méthylsulfonyl)amino]phényl}propyl)tyrosinamide [French] [ACD/IUPAC 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: 1.663
Molar Refractivity: 167.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.69
ACD/KOC (pH 5.5): 806.23
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.17
ACD/KOC (pH 7.4): 781.10
Polar Surface Area: 184 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 453.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement