ChemSpider 2D Image | Methyl 2-{[(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]amino}benzoate | C21H18N6O4S2

Methyl 2-{[(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]amino}benzoate

  • Molecular FormulaC21H18N6O4S2
  • Average mass482.535 Da
  • Monoisotopic mass482.083099 Da
  • ChemSpider ID25984680

More details:

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

2-{[(5-{[(8-Méthyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)méthyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[[5-[[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio]-1,3,4-thiadiazol-2-yl]amino]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-{[(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]amino}benzoate [ACD/IUPAC Name]
Methyl-2-{[(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]amino}benzoat [German] [ACD/IUPAC Name]
2-{3-[5-(8-Methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-ylmethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-ureido}-benzoic acid methyl ester

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: 1.740
Molar Refractivity: 127.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.32
ACD/KOC (pH 5.5): 1338.52
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 61.00
ACD/KOC (pH 7.4): 493.91
Polar Surface Area: 179 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 316.2±7.0 cm3

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