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Search term: 24691635 (Found by CSID)
ChemSpider 2D Image | HZ52 | C24H26ClN3O2S

HZ52

  • Molecular FormulaC24H26ClN3O2S
  • Average mass456.000 Da
  • Monoisotopic mass455.143433 Da
  • ChemSpider ID24691635

More details:

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

1077626-51-7 [RN]
2-[[4-([1,1'-Biphenyl]-4-ylamino)-6-chloro-2-pyrimidinyl]thio]-octanoic acid
2-{[4-(4-Biphenylylamino)-6-chlor-2-pyrimidinyl]sulfanyl}octansäure [German] [ACD/IUPAC Name]
2-{[4-(4-Biphenylylamino)-6-chloro-2-pyrimidinyl]sulfanyl}octanoic acid [ACD/IUPAC Name]
Acide 2-{[4-(4-biphénylylamino)-6-chloro-2-pyrimidinyl]sulfanyl}octanoïque [French] [ACD/IUPAC Name]
HZ52
MFCD28138598
Octanoic acid, 2-[[4-([1,1'-biphenyl]-4-ylamino)-6-chloro-2-pyrimidinyl]thio]- [ACD/Index Name]
2-(4-(bipheny-4-ylamino)-6-chloropyrimidiny-2-ylthio)-octanoic acid
2-[4-chloro-6-(4-phenylanilino)pyrimidin-2-yl]sulfanyloctanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 625.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 332.0±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 9.07
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 2276.91
ACD/KOC (pH 5.5): 1678.88
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 164.99
ACD/KOC (pH 7.4): 121.66
Polar Surface Area: 100 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 352.0±5.0 cm3

Click to predict properties on the Chemicalize site


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