ChemSpider 2D Image | N-({7-Chloro-2-[3-(hydroxymethyl)-1-piperidinyl]-3-quinolinyl}methyl)-N-(2-methoxyethyl)-3-methyl-2-thiophenecarboxamide | C25H30ClN3O3S

N-({7-Chloro-2-[3-(hydroxymethyl)-1-piperidinyl]-3-quinolinyl}methyl)-N-(2-methoxyethyl)-3-methyl-2-thiophenecarboxamide

  • Molecular FormulaC25H30ClN3O3S
  • Average mass488.042 Da
  • Monoisotopic mass487.169647 Da
  • ChemSpider ID23071555

More details:

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

2-Thiophenecarboxamide, N-[[7-chloro-2-[3-(hydroxymethyl)-1-piperidinyl]-3-quinolinyl]methyl]-N-(2-methoxyethyl)-3-methyl- [ACD/Index Name]
N-({7-Chlor-2-[3-(hydroxymethyl)-1-piperidinyl]-3-chinolinyl}methyl)-N-(2-methoxyethyl)-3-methyl-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-({7-Chloro-2-[3-(hydroxyméthyl)-1-pipéridinyl]-3-quinoléinyl}méthyl)-N-(2-méthoxyéthyl)-3-méthyl-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-({7-Chloro-2-[3-(hydroxymethyl)-1-piperidinyl]-3-quinolinyl}methyl)-N-(2-methoxyethyl)-3-methyl-2-thiophenecarboxamide [ACD/IUPAC Name]
N-({7-CHLORO-2-[3-(HYDROXYMETHYL)PIPERIDIN-1-YL]QUINOLIN-3-YL}METHYL)-N-(2-METHOXYETHYL)-3-METHYLTHIOPHENE-2-CARBOXAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.6±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 889.19
ACD/KOC (pH 5.5): 4408.08
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 949.77
ACD/KOC (pH 7.4): 4708.40
Polar Surface Area: 94 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 380.7±3.0 cm3

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