ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-ylmethyl)-2-imino-10-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide | C31H28N6O5S

1-(1,3-Benzodioxol-5-ylmethyl)-2-imino-10-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

  • Molecular FormulaC31H28N6O5S
  • Average mass596.656 Da
  • Monoisotopic mass596.184204 Da
  • ChemSpider ID11914377

More details:

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

1-(1,3-Benzodioxol-5-ylmethyl)-2-imino-10-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-3-carboxamid [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-ylmethyl)-2-imino-10-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-ylméthyl)-2-imino-10-méthyl-N-[3-(méthylcarbamoyl)-4,5,6,7-tétrahydro-1-benzothiophén-2-yl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide [French] [ACD/IUPAC Name]
2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-(1,3-benzodioxol-5-ylmethyl)-1,5-dihydro-2-imino-10-methyl-5-oxo-N-[4,5,6,7-tetrahydro-3-[(methylamino)carbonyl]benzo[b]thien-2-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.776
Molar Refractivity: 159.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 49.37
ACD/KOC (pH 5.5): 381.27
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 189.59
ACD/KOC (pH 7.4): 1464.08
Polar Surface Area: 165 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 381.1±7.0 cm3

Click to predict properties on the Chemicalize site


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