ChemSpider 2D Image | 2-{[6-(4-Fluorobenzyl)-4-oxo-1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide | C23H23FN4O2S

2-{[6-(4-Fluorobenzyl)-4-oxo-1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide

  • Molecular FormulaC23H23FN4O2S
  • Average mass438.518 Da
  • Monoisotopic mass438.152588 Da
  • ChemSpider ID22472024

More details:

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

2-{[6-(4-Fluorbenzyl)-4-oxo-1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[6-(4-Fluorobenzyl)-4-oxo-1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide [ACD/IUPAC Name]
2-{[6-(4-Fluorobenzyl)-4-oxo-1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[6-[(4-fluorophenyl)methyl]-3,4,5,6,7,8-hexahydro-4-oxopyrido[4,3-d]pyrimidin-2-yl]thio]-N-(3-methylphenyl)- [ACD/Index Name]
1110986-70-3 [RN]
2-((6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide
2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
2-[6-(4-Fluoro-benzyl)-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[4,3-d]pyrimidin-2-ylsulfanyl]-N-m-tolyl-acetamide
2-{[6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)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: 1.666
Molar Refractivity: 120.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 51.48
ACD/KOC (pH 5.5): 384.12
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 200.73
ACD/KOC (pH 7.4): 1497.70
Polar Surface Area: 99 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 324.5±7.0 cm3

Click to predict properties on the Chemicalize site


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