Found 87 results

Search term: MF = 'C_{27}H_{33}F_{2}N_{3}O_{4}'
ChemSpider 2D Image | (3S)-N-{(1S)-2-[Cyclohexyl(methyl)amino]-2-oxo-1-phenylethyl}-3-{[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}butanamide | C27H33F2N3O4

(3S)-N-{(1S)-2-[Cyclohexyl(methyl)amino]-2-oxo-1-phenylethyl}-3-{[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}butanamide

  • Molecular FormulaC27H33F2N3O4
  • Average mass501.565 Da
  • Monoisotopic mass501.243927 Da
  • ChemSpider ID8089595

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S)-N-{(1S)-2-[Cyclohexyl(methyl)amino]-2-oxo-1-phenylethyl}-3-{[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}butanamide [ACD/IUPAC Name]
(3S)-N-{(1S)-2-[Cyclohexyl(méthyl)amino]-2-oxo-1-phényléthyl}-3-{[(2S)-2-(3,5-difluorophényl)-2-hydroxyacétyl]amino}butanamide [French] [ACD/IUPAC Name]
(3S)-N-{(1S)-2-[Cyclohexyl(methyl)amino]-2-oxo-1-phenylethyl}-3-{[(2S)-2-(3,5-difluorphenyl)-2-hydroxyacetyl]amino}butanamid [German] [ACD/IUPAC Name]
Benzeneacetamide, N-[(1S)-3-[[(1S)-2-(cyclohexylmethylamino)-2-oxo-1-phenylethyl]amino]-1-methyl-3-oxopropyl]-3,5-difluoro-α-hydroxy-, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.3±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.38
ACD/KOC (pH 5.5): 738.58
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.37
ACD/KOC (pH 7.4): 738.53
Polar Surface Area: 99 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 396.1±5.0 cm3

Click to predict properties on the Chemicalize site


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