ChemSpider 2D Image | 2-[(6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)amino]-3,4,5-trimethoxybenzoic acid | C16H19N3O7S

2-[(6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)amino]-3,4,5-trimethoxybenzoic acid

  • Molecular FormulaC16H19N3O7S
  • Average mass397.403 Da
  • Monoisotopic mass397.094360 Da
  • ChemSpider ID35282094

More details:

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

2-[(6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)amino]-3,4,5-trimethoxybenzoesäure [German] [ACD/IUPAC Name]
2-[(6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)amino]-3,4,5-trimethoxybenzoic acid [ACD/IUPAC Name]
Acide 2-[(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)amino]-3,4,5-triméthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)sulfonyl]amino]-3,4,5-trimethoxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 632.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 336.3±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 93.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.85
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 256.5±7.0 cm3

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