ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-6-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide | C26H32N4O7S

N-(1,3-Benzodioxol-5-ylmethyl)-6-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide

  • Molecular FormulaC26H32N4O7S
  • Average mass544.620 Da
  • Monoisotopic mass544.199158 Da
  • ChemSpider ID17324186

More details:

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

N-(1,3-Benzodioxol-5-ylmethyl)-6-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-6-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-6-[1-{2-[(3-méthoxypropyl)amino]-2-oxoéthyl}-2,4-dioxo-1,4-dihydrothiéno[3,2-d]pyrimidin-3(2H)-yl]hexanamide [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidine-3(2H)-hexanamide, N-(1,3-benzodioxol-5-ylmethyl)-1,4-dihydro-1-[2-[(3-methoxypropyl)amino]-2-oxoethyl]-2,4-dioxo- [ACD/Index Name]
6-{1-[(3-Methoxy-propylcarbamoyl)-methyl]-2,4-dioxo-1,4-dihydro-2H-thieno[3,2-d]pyrimidin-3-yl}-hexanoic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
912884-53-8 [RN]
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(3-methoxypropyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.42
ACD/KOC (pH 5.5): 290.91
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.42
ACD/KOC (pH 7.4): 290.91
Polar Surface Area: 155 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 414.7±3.0 cm3

Click to predict properties on the Chemicalize site


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