ChemSpider 2D Image | 4-Amino-3-{[(3S)-3-{[(5-chlorothieno[3,2-b]pyridin-2-yl)sulfonyl]amino}-2-oxo-1-pyrrolidinyl]methyl}benzenecarboximidamide | C19H19ClN6O3S2

4-Amino-3-{[(3S)-3-{[(5-chlorothieno[3,2-b]pyridin-2-yl)sulfonyl]amino}-2-oxo-1-pyrrolidinyl]methyl}benzenecarboximidamide

  • Molecular FormulaC19H19ClN6O3S2
  • Average mass478.976 Da
  • Monoisotopic mass478.064850 Da
  • ChemSpider ID23181498

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Amino-3-{[(3S)-3-{[(5-chlorothieno[3,2-b]pyridin-2-yl)sulfonyl]amino}-2-oxo-1-pyrrolidinyl]methyl}benzenecarboximidamide [ACD/IUPAC Name]
4-Amino-3-{[(3S)-3-{[(5-chlorothiéno[3,2-b]pyridin-2-yl)sulfonyl]amino}-2-oxo-1-pyrrolidinyl]méthyl}benzènecarboximidamide [French] [ACD/IUPAC Name]
4-amino-3-{[(3S)-3-{[(5-chlorothieno[3,2-b]pyridin-2-yl)sulfonyl]amino}-2-oxopyrrolidin-1-yl]methyl}benzenecarboximidamide
4-Amino-3-{[(3S)-3-{[(5-chlorthieno[3,2-b]pyridin-2-yl)sulfonyl]amino}-2-oxo-1-pyrrolidinyl]methyl}benzolcarboximidamid [German] [ACD/IUPAC Name]
Benzenecarboximidamide, 4-amino-3-[[(3S)-3-[[(5-chlorothieno[3,2-b]pyridin-2-yl)sulfonyl]amino]-2-oxo-1-pyrrolidinyl]methyl]- [ACD/Index Name]
4-Amino-3-[(S)-3-(5-chloro-thieno[3,2-b]pyridine-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine
CHEMBL431281
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL431281/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 786.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.5±35.7 °C
Index of Refraction: 1.807
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 81.3±7.0 dyne/cm
Molar Volume: 276.1±7.0 cm3

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