ChemSpider 2D Image | N-[5-(2,4-Difluorobenzyl)-1,3-thiazol-2-yl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide | C21H18F2N4O2S2

N-[5-(2,4-Difluorobenzyl)-1,3-thiazol-2-yl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide

  • Molecular FormulaC21H18F2N4O2S2
  • Average mass460.520 Da
  • Monoisotopic mass460.083923 Da
  • ChemSpider ID70718984

More details:

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

N-[5-(2,4-Difluorbenzyl)-1,3-thiazol-2-yl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanamid [German] [ACD/IUPAC Name]
N-[5-(2,4-Difluorobenzyl)-1,3-thiazol-2-yl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide [ACD/IUPAC Name]
N-[5-(2,4-Difluorobenzyl)-1,3-thiazol-2-yl]-3-(5,6-diméthyl-4-oxothiéno[2,3-d]pyrimidin-3(4H)-yl)propanamide [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-3(4H)-propanamide, N-[5-[(2,4-difluorophenyl)methyl]-2-thiazolyl]-5,6-dimethyl-4-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 506.28
ACD/KOC (pH 5.5): 3000.47
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 498.29
ACD/KOC (pH 7.4): 2953.11
Polar Surface Area: 131 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 308.9±7.0 cm3

Click to predict properties on the Chemicalize site


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