ChemSpider 2D Image | rpr131247 | C19H19N5O4S2

rpr131247

  • Molecular FormulaC19H19N5O4S2
  • Average mass445.515 Da
  • Monoisotopic mass445.087830 Da
  • ChemSpider ID16744161

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Hydroxy-3-({(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]-1-pyrrolidinyl}methyl)benzenecarboximidamide [ACD/IUPAC Name]
4-Hydroxy-3-({(3S)-2-oxo-3-[(thiéno[3,2-b]pyridin-2-ylsulfonyl)amino]-1-pyrrolidinyl}méthyl)benzènecarboximidamide [French] [ACD/IUPAC Name]
4-Hydroxy-3-({(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]-1-pyrrolidinyl}methyl)benzolcarboximidamid [German] [ACD/IUPAC Name]
4-hydroxy-3-({(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]pyrrolidin-1-yl}methyl)benzenecarboximidamide
Benzenecarboximidamide, 4-hydroxy-3-[[(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]-1-pyrrolidinyl]methyl]- [ACD/Index Name]
rpr131247
4-Hydroxy-3-[(S)-2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine
4-hydroxy-3-{[(3S)-2-oxo-3-{thieno[3,2-b]pyridine-2-sulfonamido}pyrrolidin-1-yl]methyl}benzene-1-carboximidamide
4-hydroxy-3-{[(3S)-2-oxo-3-{thieno[3,2-b]pyridine-2-sulfonamido}pyrrolidin-1-yl]methyl}benzenecarboximidamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL330572/

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

PH7 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 765.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 416.8±35.7 °C
Index of Refraction: 1.789
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 79.7±7.0 dyne/cm
Molar Volume: 267.3±7.0 cm3

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