Found 81 results

Search term: MF = 'C_{18}H_{19}BrN_{4}S'
ChemSpider 2D Image | 5-(4-Bromophenyl)-4-(4-methyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine | C18H19BrN4S

5-(4-Bromophenyl)-4-(4-methyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine

  • Molecular FormulaC18H19BrN4S
  • Average mass403.339 Da
  • Monoisotopic mass402.051361 Da
  • ChemSpider ID21939129

More details:

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

5-(4-Bromophenyl)-4-(4-methyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine [ACD/IUPAC Name]
5-(4-Bromophényl)-4-(4-méthyl-1,4-diazépan-1-yl)thiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
5-(4-Bromphenyl)-4-(4-methyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine, 5-(4-bromophenyl)-4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 547.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.2±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 7.99
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 76.14
ACD/KOC (pH 7.4): 412.54
Polar Surface Area: 61 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 282.0±3.0 cm3

Click to predict properties on the Chemicalize site


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