ChemSpider 2D Image | 2-{1-[(6-Chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)amino]-2-[2-propyl-4-(1H-pyrazol-4-yl)-3-thienyl]ethyl}-4(1H)-pyrimidinone | C27H29ClN6OS

2-{1-[(6-Chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)amino]-2-[2-propyl-4-(1H-pyrazol-4-yl)-3-thienyl]ethyl}-4(1H)-pyrimidinone

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID30815251

More details:






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

2-{1-[(6-Chlor-3,3-dimethyl-3,4-dihydro-1-isochinolinyl)amino]-2-[2-propyl-4-(1H-pyrazol-4-yl)-3-thienyl]ethyl}-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
2-{1-[(6-Chloro-3,3-diméthyl-3,4-dihydro-1-isoquinoléinyl)amino]-2-[2-propyl-4-(1H-pyrazol-4-yl)-3-thiényl]éthyl}-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2-{1-[(6-Chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)amino]-2-[2-propyl-4-(1H-pyrazol-4-yl)-3-thienyl]ethyl}-4(1H)-pyrimidinone [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 2-[1-[(6-chloro-3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)amino]-2-[2-propyl-4-(1H-pyrazol-4-yl)-3-thienyl]ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 115.51
ACD/KOC (pH 5.5): 482.82
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1370.32
ACD/KOC (pH 7.4): 5727.87
Polar Surface Area: 123 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 376.2±7.0 cm3

Click to predict properties on the Chemicalize site






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