ChemSpider 2D Image | JTP-70902 | C24H21BrFN5O5S

JTP-70902

  • Molecular FormulaC24H21BrFN5O5S
  • Average mass590.421 Da
  • Monoisotopic mass589.043091 Da
  • ChemSpider ID9701972

More details:

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

871696-49-0 [RN]
JTP-70902
Methanesulfonamide, N-[3-[5-[(4-bromo-2-fluorophenyl)amino]-3-cyclopropyl-3,4,7,8-tetrahydro-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-1(2H)-yl]phenyl]- [ACD/Index Name]
N-(3-{5-[(4-Brom-2-fluorphenyl)amino]-3-cyclopropyl-8-methyl-2,4,7-trioxo-3,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-1(2H)-yl}phenyl)methansulfonamid [German] [ACD/IUPAC Name]
N-(3-{5-[(4-Bromo-2-fluorophenyl)amino]-3-cyclopropyl-8-methyl-2,4,7-trioxo-3,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-1(2H)-yl}phenyl)methanesulfonamide [ACD/IUPAC Name]
N-(3-{5-[(4-Bromo-2-fluorophényl)amino]-3-cyclopropyl-8-méthyl-2,4,7-trioxo-3,4,7,8-tétrahydropyrido[2,3-d]pyrimidin-1(2H)-yl}phényl)méthanesulfonamide [French] [ACD/IUPAC Name]
SD93UQD78T
N-(3-(5-(4-Bromo-2-fluorophenylamino)-3-cyclopropyl-8-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido(2,3-d)pyrimidin-1-yl)phenyl)methanesulfonamide
N-[3-[5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-1-yl]phenyl]methanesulfonamide
N-[3-[5-[(4-bromo-2-fluoro-phenyl)amino]-3-cyclopropyl-2,4,7-triketo-8-methyl-pyrido[3,2-e]pyrimidin-1-yl]phenyl]methanesulfonamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 664.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.8±34.3 °C
Index of Refraction: 1.742
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.25
ACD/KOC (pH 5.5): 157.37
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.15
ACD/KOC (pH 7.4): 117.41
Polar Surface Area: 128 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 84.1±5.0 dyne/cm
Molar Volume: 336.5±5.0 cm3

Click to predict properties on the Chemicalize site


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