ChemSpider 2D Image | N-{2,4-Difluoro-3-[({6-[(2-hydroxyethyl)amino]-4-pyrimidinyl}carbamoyl)amino]phenyl}-1-propanesulfonamide | C16H20F2N6O4S

N-{2,4-Difluoro-3-[({6-[(2-hydroxyethyl)amino]-4-pyrimidinyl}carbamoyl)amino]phenyl}-1-propanesulfonamide

  • Molecular FormulaC16H20F2N6O4S
  • Average mass430.430 Da
  • Monoisotopic mass430.123474 Da
  • ChemSpider ID28509203

More details:






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

1-Propanesulfonamide, N-[2,4-difluoro-3-[[[[6-[(2-hydroxyethyl)amino]-4-pyrimidinyl]amino]carbonyl]amino]phenyl]- [ACD/Index Name]
N-{2,4-Difluor-3-[({6-[(2-hydroxyethyl)amino]-4-pyrimidinyl}carbamoyl)amino]phenyl}-1-propansulfonamid [German] [ACD/IUPAC Name]
N-{2,4-Difluoro-3-[({6-[(2-hydroxyethyl)amino]-4-pyrimidinyl}carbamoyl)amino]phenyl}-1-propanesulfonamide [ACD/IUPAC Name]
N-{2,4-Difluoro-3-[({6-[(2-hydroxyéthyl)amino]-4-pyrimidinyl}carbamoyl)amino]phényl}-1-propanesulfonamide [French] [ACD/IUPAC Name]
N-{2,4-Difluoro-3-[({6-[(2-Hydroxyethyl)amino]pyrimidin-4-Yl}carbamoyl)amino]phenyl}propane-1-Sulfonamide
RI9

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 100.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 18.72
ACD/KOC (pH 5.5): 260.04
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 11.96
ACD/KOC (pH 7.4): 166.14
Polar Surface Area: 154 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 271.7±3.0 cm3

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