ChemSpider 2D Image | 3-(3-Bromo-4-Pyrrolidin-1-Ylmethyl-Benzyl)-2-[4-Pyrrolidin-1-Yl-Ethoxy)-Phenyl]-Benzo[b]thiophen-6-Ol | C32H35BrN2O2S

3-(3-Bromo-4-Pyrrolidin-1-Ylmethyl-Benzyl)-2-[4-Pyrrolidin-1-Yl-Ethoxy)-Phenyl]-Benzo[b]thiophen-6-Ol

  • Molecular FormulaC32H35BrN2O2S
  • Average mass591.602 Da
  • Monoisotopic mass590.160278 Da
  • ChemSpider ID1562

More details:

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

3-(3-Bromo-4-Pyrrolidin-1-Ylmethyl-Benzyl)-2-[4-Pyrrolidin-1-Yl-Ethoxy)-Phenyl]-Benzo[b]thiophen-6-Ol
3-[3-Brom-4-(1-pyrrolidinylmethyl)benzyl]-2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-6-ol [German] [ACD/IUPAC Name]
3-[3-Bromo-4-(1-pyrrolidinylmethyl)benzyl]-2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophene-6-ol [ACD/IUPAC Name]
3-[3-Bromo-4-(1-pyrrolidinylméthyl)benzyl]-2-{4-[2-(1-pyrrolidinyl)éthoxy]phényl}-1-benzothiophène-6-ol [French] [ACD/IUPAC Name]
3-[3-bromo-4-(pyrrolidin-1-ylmethyl)benzyl]-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1-benzothiophene-6-ol
Benzo[b]thiophene-6-ol, 3-[[3-bromo-4-(1-pyrrolidinylmethyl)phenyl]methyl]-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]- [ACD/Index Name]
BZT
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL275206/

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

CHEMBL275206 [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: 731.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 396.2±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 162.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 20.80
ACD/KOC (pH 5.5): 20.90
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 41.87
ACD/KOC (pH 7.4): 42.07
Polar Surface Area: 64 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 437.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement