ChemSpider 2D Image | Methyl (2Z)-2-({(Z)-1-[(5-chlorotetrahydro-2-thiophenyl)sulfonyl]prolyl}imino)-3-methyl-2,3-dihydro-1,3-benzothiazole-6-carboxylate | C19H22ClN3O5S3

Methyl (2Z)-2-({(Z)-1-[(5-chlorotetrahydro-2-thiophenyl)sulfonyl]prolyl}imino)-3-methyl-2,3-dihydro-1,3-benzothiazole-6-carboxylate

  • Molecular FormulaC19H22ClN3O5S3
  • Average mass504.043 Da
  • Monoisotopic mass503.041016 Da
  • ChemSpider ID110138115

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-({(Z)-1-[(5-Chlorotétrahydro-2-thiophényl)sulfonyl]prolyl}imino)-3-méthyl-2,3-dihydro-1,3-benzothiazole-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
6-Benzothiazolecarboxylic acid, 2-[[[1-[(5-chlorotetrahydro-2-thienyl)sulfonyl]-2-pyrrolidinyl]carbonyl]imino]-2,3-dihydro-3-methyl-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-2-({(Z)-1-[(5-chlorotetrahydro-2-thiophenyl)sulfonyl]prolyl}imino)-3-methyl-2,3-dihydro-1,3-benzothiazole-6-carboxylate [ACD/IUPAC Name]
Methyl-(2Z)-2-({(Z)-1-[(5-chlortetrahydro-2-thiophenyl)sulfonyl]prolyl}imino)-3-methyl-2,3-dihydro-1,3-benzothiazol-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 692.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.6±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 123.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.86
ACD/KOC (pH 5.5): 587.60
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.86
ACD/KOC (pH 7.4): 587.60
Polar Surface Area: 155 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 66.7±7.0 dyne/cm
Molar Volume: 308.4±7.0 cm3

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