ChemSpider 2D Image | 2-{[3-(3-Isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide | C27H31N3O3S2

2-{[3-(3-Isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID2756152

More details:

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

2-{[3-(3-Isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-isopropylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[3-(3-Isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide [ACD/IUPAC Name]
2-{[3-(3-Isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothiéno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-isopropylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3,4-dihydro-3-[3-(1-methylethoxy)propyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-2-yl]thio]-N-[4-(1-methylethyl)phenyl]- [ACD/Index Name]
2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]thio}-N-(4-isopropylphenyl)acetamide

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: 1.645
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8623.78
ACD/KOC (pH 5.5): 22843.33
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8623.97
ACD/KOC (pH 7.4): 22843.83
Polar Surface Area: 125 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 399.5±7.0 cm3

Click to predict properties on the Chemicalize site


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