ChemSpider 2D Image | Methyl 1-[3-({[4-(1,3-benzodioxol-5-yl)-2,5-dioxo-1,2,5,7-tetrahydrofuro[3,4-d]pyrimidin-3(4H)-yl]carbonyl}amino)propyl]-4-phenyl-4-piperidinecarboxylate | C30H32N4O8

Methyl 1-[3-({[4-(1,3-benzodioxol-5-yl)-2,5-dioxo-1,2,5,7-tetrahydrofuro[3,4-d]pyrimidin-3(4H)-yl]carbonyl}amino)propyl]-4-phenyl-4-piperidinecarboxylate

  • Molecular FormulaC30H32N4O8
  • Average mass576.597 Da
  • Monoisotopic mass576.221985 Da
  • ChemSpider ID23145043

More details:

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

1-[3-({[4-(1,3-Benzodioxol-5-yl)-2,5-dioxo-1,2,5,7-tétrahydrofuro[3,4-d]pyrimidin-3(4H)-yl]carbonyl}amino)propyl]-4-phényl-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[3-[[[4-(1,3-benzodioxol-5-yl)-1,2,5,7-tetrahydro-2,5-dioxofuro[3,4-d]pyrimidin-3(4H)-yl]carbonyl]amino]propyl]-4-phenyl-, methyl ester [ACD/Index Name]
Methyl 1-[3-({[4-(1,3-benzodioxol-5-yl)-2,5-dioxo-1,2,5,7-tetrahydrofuro[3,4-d]pyrimidin-3(4H)-yl]carbonyl}amino)propyl]-4-phenyl-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-[3-({[4-(1,3-benzodioxol-5-yl)-2,5-dioxo-1,2,5,7-tetrahydrofuro[3,4-d]pyrimidin-3(4H)-yl]carbonyl}amino)propyl]-4-phenyl-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-{3-[(4-Benzo[1,3]dioxol-5-yl-2,5-dioxo-1,2,5,7-tetrahydro-4H-furo[3,4-d]pyrimidine-3-carbonyl)-amino]-propyl}-4-phenyl-piperidine-4-carboxylic acid methyl ester
CHEMBL299984
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL299984/

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: 1.667
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 60.08
Polar Surface Area: 136 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 399.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement