ChemSpider 2D Image | 6-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid | C25H24N2O7S3

6-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid

  • Molecular FormulaC25H24N2O7S3
  • Average mass560.662 Da
  • Monoisotopic mass560.074585 Da
  • ChemSpider ID4484312

More details:

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

6-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
6-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID
Acide 6-{[1-(benzylsulfonyl)-4-pipéridinyl]amino}-3-(carboxyméthoxy)thiéno[3,2-b][1]benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Thieno[3,2-b][1]benzothiophene-2-carboxylic acid, 3-(carboxymethoxy)-6-[[1-[(phenylmethyl)sulfonyl]-4-piperidinyl]amino]- [ACD/Index Name]
thienobenzothiophene 29

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

598 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 849.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 467.3±37.1 °C
Index of Refraction: 1.754
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 198 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 351.8±5.0 cm3

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