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Search term: MF = 'C_{23}H_{27}N_{3}O_{8}S'
ChemSpider 2D Image | Diethyl 5-[({4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]butanoyl}oxy)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate | C23H27N3O8S

Diethyl 5-[({4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]butanoyl}oxy)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC23H27N3O8S
  • Average mass505.541 Da
  • Monoisotopic mass505.151886 Da
  • ChemSpider ID22434053

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 5-[[4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]-1-oxobutoxy]methyl]-3-methyl-, diethyl ester [ACD/Index Name]
5-[({4-[(1,1-Dioxydo-1,2-benzothiazol-3-yl)amino]butanoyl}oxy)méthyl]-3-méthyl-1H-pyrrole-2,4-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-[({4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]butanoyl}oxy)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
Diethyl-5-[({4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]butanoyl}oxy)methyl]-3-methyl-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 717.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.9±35.7 °C
Index of Refraction: 1.617
Molar Refractivity: 126.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 130.54
ACD/KOC (pH 5.5): 1137.75
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.54
ACD/KOC (pH 7.4): 1137.75
Polar Surface Area: 162 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 360.0±7.0 cm3

Click to predict properties on the Chemicalize site


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