ChemSpider 2D Image | (5E)-1-Allyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione | C21H21N3O2S

(5E)-1-Allyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

  • Molecular FormulaC21H21N3O2S
  • Average mass379.475 Da
  • Monoisotopic mass379.135437 Da
  • ChemSpider ID68019148

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-1-Allyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylen}-2-thioxodihydro-4,6(1H,5H)-pyrimidindion [German] [ACD/IUPAC Name]
(5E)-1-Allyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [ACD/IUPAC Name]
(5E)-1-Allyl-5-{[2,5-diméthyl-1-(4-méthylphényl)-1H-pyrrol-3-yl]méthylène}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [French] [ACD/IUPAC Name]
4,6(1H,5H)-Pyrimidinedione, 5-[[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene]dihydro-1-(2-propen-1-yl)-2-thioxo-, (5E)- [ACD/Index Name]
CWJHVRDJNPUSHI-PDGQHHTCSA-N

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 113.92
ACD/KOC (pH 5.5): 935.67
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 6.26
ACD/KOC (pH 7.4): 51.46
Polar Surface Area: 86 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 311.1±7.0 cm3

Click to predict properties on the Chemicalize site


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