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

5-(3-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}phenyl)-4-bromo-3-(carboxymethoxy)-2-thiophenecarboxylic acid

  • Molecular FormulaC25H25BrN2O7S2
  • Average mass609.509 Da
  • Monoisotopic mass608.028625 Da
  • ChemSpider ID9961492

More details:

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

2-Thiophenecarboxylic acid, 4-bromo-3-(carboxymethoxy)-5-[3-[[1-[(phenylmethyl)sulfonyl]-4-piperidinyl]amino]phenyl]- [ACD/Index Name]
5-(3-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}phenyl)-4-brom-3-(carboxymethoxy)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(3-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}phenyl)-4-bromo-3-(carboxymethoxy)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
Acide 5-(3-{[1-(benzylsulfonyl)-4-pipéridinyl]amino}phényl)-4-bromo-3-(carboxyméthoxy)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
2-Thiophenecarboxylic acid,4-bromo-3-(carboxymethoxy)-5-[3-[[1-[(phenylmethyl)sulfonyl]-4-piperidinyl]amino]phenyl]-
4-Bromo-3-(carboxymethoxy)-5-[3-(1-phenylmethylsulfonylpiperidin-4-ylamino)phenyl]thiophene-2-carboxylic acid
4-BROMO-3-(CARBOXYMETHOXY)-5-[3-[[1-[(PHENYLMETHYL)SULFONYL]-4-PIPERIDINYL]AMINO]PHENYL]-2-THIOPHENECARBOXYLIC ACID
4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(1-PHENYLMETHANESULFONYLPIPERIDIN-4-YL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID
4-bromo-3-carboxymethoxy-5-[3-(1-phenylmethanesulfonylpiperidin-4-ylamino)phenyl]thiophene-2-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

527 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 802.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 439.3±37.1 °C
Index of Refraction: 1.708
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: 3.70
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.62
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: 83.9±5.0 dyne/cm
Molar Volume: 366.7±5.0 cm3

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