ChemSpider 2D Image | 7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one | C26H26N4OS

7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC26H26N4OS
  • Average mass442.576 Da
  • Monoisotopic mass442.182739 Da
  • ChemSpider ID30656861

More details:

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

7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
7-Benzyl-2-[(cyclopropylméthyl)amino]-3-phényl-5,6,7,8-tétrahydropyrido[4',3':4,5]thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(cyclopropylmethyl)amino]-5,6,7,8-tetrahydro-3-phenyl-7-(phenylmethyl)- [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: 630.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.8±34.3 °C
Index of Refraction: 1.738
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 136.08
ACD/KOC (pH 5.5): 660.36
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 946.56
ACD/KOC (pH 7.4): 4593.33
Polar Surface Area: 76 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 322.5±7.0 cm3

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