ChemSpider 2D Image | (2R)-N-[(3-Aminophenyl)sulfonyl]-2-{[4-(diaminomethylene)-3-oxo-1,5-cyclohexadien-1-yl]amino}-2-(3,5-diethoxy-2-fluorophenyl)acetamide | C25H28FN5O6S

(2R)-N-[(3-Aminophenyl)sulfonyl]-2-{[4-(diaminomethylene)-3-oxo-1,5-cyclohexadien-1-yl]amino}-2-(3,5-diethoxy-2-fluorophenyl)acetamide

  • Molecular FormulaC25H28FN5O6S
  • Average mass545.583 Da
  • Monoisotopic mass545.174438 Da
  • ChemSpider ID4484219

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-N-[(3-Aminophenyl)sulfonyl]-2-{[4-(diaminomethylen)-3-oxo-1,5-cyclohexadien-1-yl]amino}-2-(3,5-diethoxy-2-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
(2R)-N-[(3-Aminophenyl)sulfonyl]-2-{[4-(diaminomethylene)-3-oxo-1,5-cyclohexadien-1-yl]amino}-2-(3,5-diethoxy-2-fluorophenyl)acetamide [ACD/IUPAC Name]
(2R)-N-[(3-Aminophényl)sulfonyl]-2-{[4-(diaminométhylène)-3-oxo-1,5-cyclohexadién-1-yl]amino}-2-(3,5-diéthoxy-2-fluorophényl)acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[(3-aminophenyl)sulfonyl]-α-[[4-(diaminomethylene)-3-oxo-1,5-cyclohexadien-1-yl]amino]-3,5-diethoxy-2-fluoro-, (αR)- [ACD/Index Name]
(R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.51
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.01
Polar Surface Area: 197 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 376.7±5.0 cm3

Click to predict properties on the Chemicalize site


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