ChemSpider 2D Image | 4-[4-(4-Chlorobenzyl)-1,4-diazepan-1-yl]-5,6-dimethyl-2-(4-morpholinylmethyl)thieno[2,3-d]pyrimidine | C25H32ClN5OS

4-[4-(4-Chlorobenzyl)-1,4-diazepan-1-yl]-5,6-dimethyl-2-(4-morpholinylmethyl)thieno[2,3-d]pyrimidine

  • Molecular FormulaC25H32ClN5OS
  • Average mass486.073 Da
  • Monoisotopic mass485.201599 Da
  • ChemSpider ID22093799

More details:

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

4-[4-(4-Chlorbenzyl)-1,4-diazepan-1-yl]-5,6-dimethyl-2-(4-morpholinylmethyl)thieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-[4-(4-Chlorobenzyl)-1,4-diazepan-1-yl]-5,6-dimethyl-2-(4-morpholinylmethyl)thieno[2,3-d]pyrimidine [ACD/IUPAC Name]
4-[4-(4-Chlorobenzyl)-1,4-diazépan-1-yl]-5,6-diméthyl-2-(4-morpholinylméthyl)thiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine, 4-[4-[(4-chlorophenyl)methyl]hexahydro-1H-1,4-diazepin-1-yl]-5,6-dimethyl-2-(4-morpholinylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.2±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 137.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 5.56
ACD/KOC (pH 5.5): 26.93
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 673.93
ACD/KOC (pH 7.4): 3265.96
Polar Surface Area: 73 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 380.8±3.0 cm3

Click to predict properties on the Chemicalize site


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