ChemSpider 2D Image | 3-[3-Chloro-4-(1-pyrrolidinylmethyl)benzyl]-2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophene-6-ol | C32H35ClN2O2S

3-[3-Chloro-4-(1-pyrrolidinylmethyl)benzyl]-2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophene-6-ol

  • Molecular FormulaC32H35ClN2O2S
  • Average mass547.151 Da
  • Monoisotopic mass546.210754 Da
  • ChemSpider ID13577896

More details:

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

3-[3-Chlor-4-(1-pyrrolidinylmethyl)benzyl]-2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-6-ol [German] [ACD/IUPAC Name]
3-[3-Chloro-4-(1-pyrrolidinylmethyl)benzyl]-2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophene-6-ol [ACD/IUPAC Name]
3-[3-Chloro-4-(1-pyrrolidinylméthyl)benzyl]-2-{4-[2-(1-pyrrolidinyl)éthoxy]phényl}-1-benzothiophène-6-ol [French] [ACD/IUPAC Name]
Benzo[b]thiophene-6-ol, 3-[[3-chloro-4-(1-pyrrolidinylmethyl)phenyl]methyl]-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]- [ACD/Index Name]
3-(3-Chloro-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol
3-[3-chloro-4-(pyrrolidin-1-ylmethyl)benzyl]-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1-benzothiophene-6-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL282675/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 385.2±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 159.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 16.27
ACD/KOC (pH 5.5): 17.53
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 36.18
ACD/KOC (pH 7.4): 38.99
Polar Surface Area: 64 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 433.1±3.0 cm3

Click to predict properties on the Chemicalize site


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