ChemSpider 2D Image | 2-{(1S)-1-[(6-Chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one | C26H24ClN5O

2-{(1S)-1-[(6-Chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC26H24ClN5O
  • Average mass457.955 Da
  • Monoisotopic mass457.166931 Da
  • ChemSpider ID29406142

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{(1S)-1-[(6-Chlor-3,3-dimethyl-3,4-dihydro-1-isochinolinyl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
2-{(1S)-1-[(6-Chloro-3,3-diméthyl-3,4-dihydro-1-isoquinoléinyl)amino]-2-phényléthyl}pyrido[4,3-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
2-{(1S)-1-[(6-Chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
2-{(1s)-1-[(6-Chloro-3,3-Dimethyl-3,4-Dihydroisoquinolin-1-Yl)amino]-2-Phenylethyl}pyrido[4,3-D]pyrimidin-4(1h)-One
Pyrido[4,3-d]pyrimidin-4(3H)-one, 2-[(1S)-1-[(6-chloro-3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)amino]-2-phenylethyl]- [ACD/Index Name]
1BS

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 130.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 18.16
ACD/KOC (pH 5.5): 106.37
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 402.05
ACD/KOC (pH 7.4): 2355.33
Polar Surface Area: 79 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 341.9±7.0 cm3

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