ChemSpider 2D Image | Methyl 2-({[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoate | C23H29N5O7S

Methyl 2-({[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoate

  • Molecular FormulaC23H29N5O7S
  • Average mass519.571 Da
  • Monoisotopic mass519.178772 Da
  • ChemSpider ID2240108

More details:

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

2-({2-[(7-Butyl-1,3-diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)sulfanyl]acétyl}amino)-4,5-diméthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[(7-butyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]acetyl]amino]-4,5-dimethoxy-, methyl ester [ACD/Index Name]
Methyl 2-({[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoate [ACD/IUPAC Name]
Methyl-2-({[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoat [German] [ACD/IUPAC Name]
2-[2-(7-Butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetylamino]-4,5-dimethoxy-benzoic acid methyl ester
methyl 2-({[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio]acetyl}amino)-4,5-dimethoxybenzoate
methyl 2-[2-(7-butyl-1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-8-ylthio))acetylamino]-4,5-dimethoxybenzoate

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

A3602/0152628 [DBID]

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: 1.625
Molar Refractivity: 133.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 307.94
ACD/KOC (pH 5.5): 2103.04
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 307.91
ACD/KOC (pH 7.4): 2102.84
Polar Surface Area: 158 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 376.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement