ChemSpider 2D Image | Methyl 5-(2-methoxy-2-oxoethyl)-4-oxo-2-({[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate | C18H15N5O6S2

Methyl 5-(2-methoxy-2-oxoethyl)-4-oxo-2-({[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC18H15N5O6S2
  • Average mass461.472 Da
  • Monoisotopic mass461.046387 Da
  • ChemSpider ID22057084

More details:

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

5-(2-Méthoxy-2-oxoéthyl)-4-oxo-2-({[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}méthyl)-1,4-dihydrothiéno[2,3-d]pyrimidine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(2-methoxy-2-oxoethyl)-4-oxo-2-({[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Methyl-5-(2-methoxy-2-oxoethyl)-4-oxo-2-({[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,4-dihydrothieno[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-5-acetic acid, 3,4-dihydro-6-(methoxycarbonyl)-4-oxo-2-[[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-, methyl ester [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.772
Molar Refractivity: 112.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.70
ACD/KOC (pH 5.5): 105.42
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.64
ACD/KOC (pH 7.4): 104.06
Polar Surface Area: 202 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 270.2±7.0 cm3

Click to predict properties on the Chemicalize site


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