ChemSpider 2D Image | N-{2-Chloro-4-[3-(5-{[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrazol-4-yl]benzyl}-2-ethoxy-2-oxoethanaminium | C27H27Cl2FN5O4

N-{2-Chloro-4-[3-(5-{[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrazol-4-yl]benzyl}-2-ethoxy-2-oxoethanaminium

  • Molecular FormulaC27H27Cl2FN5O4
  • Average mass575.438 Da
  • Monoisotopic mass574.141846 Da
  • ChemSpider ID34974478

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Glycine, N-[[2-chloro-4-[3-[5-[[[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]amino]carbonyl]-1H-pyrrol-3-yl]-1H-pyrazol-4-yl]phenyl]methyl]-, ethyl ester, conjugate monoacid [ACD/Index Name]
N-{2-Chlor-4-[3-(5-{[(1S)-1-(3-chlor-4-fluorphenyl)-2-hydroxyethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrazol-4-yl]benzyl}-2-ethoxy-2-oxoethanaminium [German] [ACD/IUPAC Name]
N-{2-Chloro-4-[3-(5-{[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrazol-4-yl]benzyl}-2-ethoxy-2-oxoethanaminium [ACD/IUPAC Name]
N-{2-Chloro-4-[3-(5-{[(1S)-1-(3-chloro-4-fluorophényl)-2-hydroxyéthyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrazol-4-yl]benzyl}-2-éthoxy-2-oxoéthanaminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 795.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 435.0±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 224.86
ACD/KOC (pH 5.5): 1188.96
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 734.01
ACD/KOC (pH 7.4): 3881.09
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement