ChemSpider 2D Image | 4-{[(5-Chloro-2-thienyl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)prolinamide | C27H27ClFN5O4S

4-{[(5-Chloro-2-thienyl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)prolinamide

  • Molecular FormulaC27H27ClFN5O4S
  • Average mass572.051 Da
  • Monoisotopic mass571.145630 Da
  • ChemSpider ID24628646

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4r)-4-{[(5-Chlorothiophen-2-Yl)carbonyl]amino}-N-(Cyclopropylmethyl)-1-(2-{[2-Fluoro-4-(2-Oxopyridin-1(2h)-Yl)phenyl]amino}-2-Oxoethyl)-L-Prolinamide
1-Pyrrolidineacetamide, 4-[[(5-chloro-2-thienyl)carbonyl]amino]-2-[[(cyclopropylmethyl)amino]carbonyl]-N-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]- [ACD/Index Name]
4-{[(5-Chlor-2-thienyl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)prolinamid [German] [ACD/IUPAC Name]
4-{[(5-Chloro-2-thienyl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)prolinamide [ACD/IUPAC Name]
4-{[(5-Chloro-2-thiényl)carbonyl]amino}-N-(cyclopropylméthyl)-1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]amino}-2-oxoéthyl)prolinamide [French] [ACD/IUPAC Name]
(2S,4R)-4-(5-chlorothiophene-2-carboxamido)-N-(cyclopropylmethyl)-1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)pyrrolidine-2-carboxamide
LZI

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

Density: 1.5±0.1 g/cm3
Boiling Point: 877.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 484.3±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 10.79
ACD/KOC (pH 5.5): 184.00
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.30
ACD/KOC (pH 7.4): 209.64
Polar Surface Area: 139 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 386.2±5.0 cm3

Click to predict properties on the Chemicalize site


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