ChemSpider 2D Image | N'-{[4-(Diethylamino)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide | C30H33N5O4S2

N'-{[4-(Diethylamino)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide

  • Molecular FormulaC30H33N5O4S2
  • Average mass591.744 Da
  • Monoisotopic mass591.197388 Da
  • ChemSpider ID5251447

More details:

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

Acetic acid, 2-[[3,4,5,6,7,8-hexahydro-3-(4-methoxyphenyl)-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]-, 2-[[4-(diethylamino)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl]hydrazide [ACD/Index Name]
N'-{[4-(Diethylamino)-6-oxo-2,4-cyclohexadien-1-yliden]methyl}-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazid [German] [ACD/IUPAC Name]
N'-{[4-(Diethylamino)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide [ACD/IUPAC Name]
N'-{[4-(Diéthylamino)-6-oxo-2,4-cyclohexadién-1-ylidène]méthyl}-2-{[3-(4-méthoxyphényl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl]sulfanyl}acétohydrazide [French] [ACD/IUPAC Name]

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: 1.684
Molar Refractivity: 164.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 770.14
ACD/KOC (pH 5.5): 4034.66
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 782.02
ACD/KOC (pH 7.4): 4096.88
Polar Surface Area: 157 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 432.5±7.0 cm3

Click to predict properties on the Chemicalize site


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