ChemSpider 2D Image | {[(2E)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-hydroxy-2-penten-3-yl]sulfanyl}methyl benzoate | C20H24N4O4S

{[(2E)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-hydroxy-2-penten-3-yl]sulfanyl}methyl benzoate

  • Molecular FormulaC20H24N4O4S
  • Average mass416.494 Da
  • Monoisotopic mass416.151825 Da
  • ChemSpider ID28576585

  • Double-bond stereo - Double-bond stereo

More details:

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

{[(2E)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-hydroxy-2-penten-3-yl]sulfanyl}methyl benzoate [ACD/IUPAC Name]
{[(2E)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-hydroxy-2-penten-3-yl]sulfanyl}methyl-benzoat [German] [ACD/IUPAC Name]
18481-26-0 [RN]
Benzoate de {[(2E)-2-{[(4-amino-2-méthyl-5-pyrimidinyl)méthyl](formyl)amino}-5-hydroxy-2-pentén-3-yl]sulfanyl}méthyle [French] [ACD/IUPAC Name]
Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[(1E)-2-[[(benzoyloxy)methyl]thio]-4-hydroxy-1-methyl-1-buten-1-yl]- [ACD/Index Name]
N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[(benzoyloxy)methyl]thio]-4-hydroxy-1-methyl-1-buten-1-yl]formamide
((2-(N-((4-Amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-hydroxypent-2-en-3-yl)thio)methyl benzoate
[(2-{[(4-Amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-hydroxypent-2-en-3-yl)sulfanyl]methyl benzoate
[(E)-2-[(4-Amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]sulfanylmethyl benzoate
{[(2E)-2-{N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]FORMAMIDO}-5-HYDROXYPENT-2-EN-3-YL]SULFANYL}METHYL BENZOATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 692.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.7±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 19.17
ACD/KOC (pH 5.5): 241.45
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.38
ACD/KOC (pH 7.4): 445.53
Polar Surface Area: 144 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 317.8±3.0 cm3

Click to predict properties on the Chemicalize site


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