ChemSpider 2D Image | MFCD03474256 | C28H28N4O4S2

MFCD03474256

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID4197430

More details:

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

Acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-[[3,4,5,6,7,8-hexahydro-3-(4-methylphenyl)-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]- [ACD/Index Name]
MFCD03474256
N-(5-Acetamido-2-methoxyphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(5-Acetamido-2-methoxyphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(5-Acétamido-2-méthoxyphényl)-2-{[3-(4-méthylphényl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-[5-(ACETYLAMINO)-2-METHOXYPHENYL]-2-{[3-(4-METHYLPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETAMIDE
N-(5-acetamido-2-methoxyphenyl)-2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide
N-[5-(acetylamino)-2-methoxyphenyl]-2-[3-(4-methylphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide

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: 1.702
Molar Refractivity: 151.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2246.05
ACD/KOC (pH 5.5): 8720.28
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2246.23
ACD/KOC (pH 7.4): 8720.98
Polar Surface Area: 154 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 389.7±7.0 cm3

Click to predict properties on the Chemicalize site


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