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Search term: LCVIRAZGMYMNNT-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | MK-5108 | C22H21ClFN3O3S

MK-5108

  • Molecular FormulaC22H21ClFN3O3S
  • Average mass461.937 Da
  • Monoisotopic mass461.097626 Da
  • ChemSpider ID29394233

More details:

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

4-(3-Chlor-2-fluorphenoxy)-1-{[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-(3-Chloro-2-fluorophenoxy)-1-{[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl}cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 4-(3-chloro-2-fluorophénoxy)-1-{[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]méthyl}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-(3-chloro-2-fluorophenoxy)-1-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]- [ACD/Index Name]
MK-5108
1010085-13-8 [RN]
4-(3-chloro-2-fluorophenoxy)-1-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)cyclohexane-1-carboxylic acid
4-(3-chloro-2-fluorophenoxy)-1-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)cyclohexanecarboxylic acid
4-(3-chloro-2-fluorophenoxy)-1-({6-[(1,3-thiazol-2-yl)amino]pyridin-2-yl}methyl)cyclohexane-1-carboxylic acid
4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

H8J407531S [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 637.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.4±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 197.14
ACD/KOC (pH 5.5): 680.53
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 11.38
Polar Surface Area: 113 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

Click to predict properties on the Chemicalize site


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