ChemSpider 2D Image | Isopropyl {3-chloro-5-[({6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-(4-morpholinyl)-2-pyridinyl}amino)methyl]phenyl}carbamate | C28H36ClN5O3S

Isopropyl {3-chloro-5-[({6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-(4-morpholinyl)-2-pyridinyl}amino)methyl]phenyl}carbamate

  • Molecular FormulaC28H36ClN5O3S
  • Average mass558.135 Da
  • Monoisotopic mass557.222717 Da
  • ChemSpider ID23144328

More details:

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

{3-Chloro-5-[({6-[2-(5-éthyl-4-méthyl-1,3-thiazol-2-yl)éthyl]-4-(4-morpholinyl)-2-pyridinyl}amino)méthyl]phényl}carbamate d'isopropyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[3-chloro-5-[[[6-[2-(5-ethyl-4-methyl-2-thiazolyl)ethyl]-4-(4-morpholinyl)-2-pyridinyl]amino]methyl]phenyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl {3-chloro-5-[({6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-(4-morpholinyl)-2-pyridinyl}amino)methyl]phenyl}carbamate [ACD/IUPAC Name]
Isopropyl-{3-chlor-5-[({6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-(4-morpholinyl)-2-pyridinyl}amino)methyl]phenyl}carbamat [German] [ACD/IUPAC Name]
[3-Chloro-5-({6-[2-(5-ethyl-4-methyl-thiazol-2-yl)-ethyl]-4-morpholin-4-yl-pyridin-2-ylamino}-methyl)-phenyl]-carbamic acid isopropyl ester
CHEMBL50184

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

Density: 1.3±0.1 g/cm3
Boiling Point: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 155.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 74.93
ACD/KOC (pH 5.5): 151.95
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 531.84
ACD/KOC (pH 7.4): 1078.47
Polar Surface Area: 117 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 436.2±3.0 cm3

Click to predict properties on the Chemicalize site


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