ChemSpider 2D Image | {2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone | C32H35N3O3S

{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone

  • Molecular FormulaC32H35N3O3S
  • Average mass541.704 Da
  • Monoisotopic mass541.239929 Da
  • ChemSpider ID5536

More details:

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

(2-{4-[2-(1-Pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-3-yl){6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl}methanon [German] [ACD/IUPAC Name]
(2-{4-[2-(1-Pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-3-yl){6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl}methanone [ACD/IUPAC Name]
(2-{4-[2-(1-Pyrrolidinyl)éthoxy]phényl}-1-benzothiophén-3-yl){6-[2-(1-pyrrolidinyl)éthoxy]-3-pyridinyl}méthanone [French] [ACD/IUPAC Name]
{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone
Methanone, [2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thien-3-yl][6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl]- [ACD/Index Name]
BT1
CHEMBL82285

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.2±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 3.05
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 6.82
Polar Surface Area: 83 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 442.3±3.0 cm3

Click to predict properties on the Chemicalize site


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