ChemSpider 2D Image | N-Cyclopentyl-N~2~-[({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfinyl)acetyl]-N~2~-3-quinolinylalaninamide | C27H29FN4O4S

N-Cyclopentyl-N2-[({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfinyl)acetyl]-N2-3-quinolinylalaninamide

  • Molecular FormulaC27H29FN4O4S
  • Average mass524.607 Da
  • Monoisotopic mass524.189331 Da
  • ChemSpider ID2433366

More details:

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

N2-3-Chinolinyl-N-cyclopentyl-N2-[({2-[(4-fluorphenyl)amino]-2-oxoethyl}sulfinyl)acetyl]alaninamid [German] [ACD/IUPAC Name]
N-Cyclopentyl-N2-[({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfinyl)acetyl]-N2-3-quinolinylalaninamide [ACD/IUPAC Name]
N-Cyclopentyl-N2-[2-({2-[(4-fluorophényl)amino]-2-oxoéthyl}sulfinyl)acétyl]-N2-3-quinoléinylalaninamide [French] [ACD/IUPAC Name]
Propanamide, N-cyclopentyl-2-[[2-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]sulfinyl]acetyl]-3-quinolinylamino]- [ACD/Index Name]

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

ASN 04123228 [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: 847.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 466.4±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.84
ACD/KOC (pH 5.5): 346.08
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 25.07
ACD/KOC (pH 7.4): 349.26
Polar Surface Area: 128 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 380.4±5.0 cm3

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