ChemSpider 2D Image | 4-Bromo-3-(carboxymethoxy)-5-[3-({[1-(phenylsulfonyl)-4-piperidinyl]methyl}amino)phenyl]-2-thiophenecarboxylic acid | C25H25BrN2O7S2

4-Bromo-3-(carboxymethoxy)-5-[3-({[1-(phenylsulfonyl)-4-piperidinyl]methyl}amino)phenyl]-2-thiophenecarboxylic acid

  • Molecular FormulaC25H25BrN2O7S2
  • Average mass609.509 Da
  • Monoisotopic mass608.028625 Da
  • ChemSpider ID23289163

More details:

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

2-Thiophenecarboxylic acid, 4-bromo-3-(carboxymethoxy)-5-[3-[[[1-(phenylsulfonyl)-4-piperidinyl]methyl]amino]phenyl]- [ACD/Index Name]
4-Brom-3-(carboxymethoxy)-5-[3-({[1-(phenylsulfonyl)-4-piperidinyl]methyl}amino)phenyl]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Bromo-3-(carboxymethoxy)-5-[3-({[1-(phenylsulfonyl)-4-piperidinyl]methyl}amino)phenyl]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
4-bromo-3-(carboxymethoxy)-5-[3-({[1-(phenylsulfonyl)piperidin-4-yl]methyl}amino)phenyl]thiophene-2-carboxylic acid
Acide 4-bromo-3-(carboxyméthoxy)-5-[3-({[1-(phénylsulfonyl)-4-pipéridinyl]méthyl}amino)phényl]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
5-{3-[(1-benzenesulfonylpiperidin-4-ylmethyl)amino]phenyl}-4-bromo-3-carboxymethoxythiophene-2-carboxylic acid
CHEMBL429105
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL429105/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 793.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.4±35.7 °C
Index of Refraction: 1.658
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.87
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 388.3±3.0 cm3

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