Found 11 results

Search term: MF = 'C_{21}H_{17}BrClN_{3}O_{3}S_{2}'
ChemSpider 2D Image | 2-{[3-(4-Bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide | C21H17BrClN3O3S2

2-{[3-(4-Bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide

  • Molecular FormulaC21H17BrClN3O3S2
  • Average mass538.865 Da
  • Monoisotopic mass536.958313 Da
  • ChemSpider ID3786878

More details:

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

2-{[3-(4-Bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-{[3-(4-Bromophényl)-4-oxo-3,4,6,7-tétrahydrothiéno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-chloro-2-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
2-{[3-(4-Bromphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-chlor-2-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[3-(4-bromophenyl)-3,4,6,7-tetrahydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]-N-(5-chloro-2-methoxyphenyl)- [ACD/Index Name]
2-((3-(4-bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-chloro-2-methoxyphenyl)acetamide

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: 1.724
Molar Refractivity: 129.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2107.83
ACD/KOC (pH 5.5): 8332.89
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2107.81
ACD/KOC (pH 7.4): 8332.82
Polar Surface Area: 122 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 327.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement