ChemSpider 2D Image | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE | C25H28FN5O6S

(R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE

  • Molecular FormulaC25H28FN5O6S
  • Average mass545.583 Da
  • Monoisotopic mass545.174438 Da
  • ChemSpider ID20120265

  • 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-carbamimidoyl-3-hydroxyphenyl)amino]-2-(3,5-diethoxy-2-fluorophenyl)acetamide [ACD/IUPAC Name]
(2R)-N-[(3-Aminophényl)sulfonyl]-2-[(4-carbamimidoyl-3-hydroxyphényl)amino]-2-(3,5-diéthoxy-2-fluorophényl)acétamide [French] [ACD/IUPAC Name]
(2R)-N-[(3-Aminophenyl)sulfonyl]-2-[(4-carbamimidoyl-3-hydroxyphenyl)amino]-2-(3,5-diethoxy-2-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
(R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE
Benzeneacetamide, α-[[4-(aminoiminomethyl)-3-hydroxyphenyl]amino]-N-[(3-aminophenyl)sulfonyl]-3,5-diethoxy-2-fluoro-, (αR)- [ACD/Index Name]
G17905

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

905 [DBID]

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: 1.638
Molar Refractivity: 135.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 377.6±7.0 cm3

Click to predict properties on the Chemicalize site


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