ChemSpider 2D Image | Ethyl 2-({[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C29H30N2O7S2

Ethyl 2-({[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC29H30N2O7S2
  • Average mass582.688 Da
  • Monoisotopic mass582.149414 Da
  • ChemSpider ID2674792

More details:

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

2-({[2-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,2,3,4-tétrahydro-3-isoquinoléinyl]carbonyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-({[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-({[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,2,3,4-tetrahydro-3-isochinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]

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

ZINC03270528 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 150.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 101292.23
ACD/KOC (pH 5.5): 133220.28
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 101291.56
ACD/KOC (pH 7.4): 133219.41
Polar Surface Area: 148 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 412.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement