ChemSpider 2D Image | 2-(2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine | C23H32N6O3S2

2-(2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC23H32N6O3S2
  • Average mass504.669 Da
  • Monoisotopic mass504.197723 Da
  • ChemSpider ID11142748

More details:






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

[1]Benzothieno[2,3-d]pyrimidin-4-amine, 2-[2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]ethyl]-5,6,7,8-tetrahydro-7-methyl- [ACD/Index Name]
2-(2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
2-(2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
2-(2-{4-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazépan-1-yl}éthyl)-7-méthyl-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 674.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.0±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 55.48
ACD/KOC (pH 5.5): 307.88
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 572.81
ACD/KOC (pH 7.4): 3178.73
Polar Surface Area: 155 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 379.6±3.0 cm3

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