ChemSpider 2D Image | N-[(2S)-3-Amino-1-(hydroxyamino)-1-oxo-2-propanyl]-4-(4-phenyl-1,3-butadiyn-1-yl)benzamide | C20H17N3O3

N-[(2S)-3-Amino-1-(hydroxyamino)-1-oxo-2-propanyl]-4-(4-phenyl-1,3-butadiyn-1-yl)benzamide

  • Molecular FormulaC20H17N3O3
  • Average mass347.367 Da
  • Monoisotopic mass347.126984 Da
  • ChemSpider ID34949279

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(1S)-1-(aminomethyl)-2-(hydroxyamino)-2-oxoethyl]-4-(4-phenyl-1,3-butadiyn-1-yl)- [ACD/Index Name]
N-[(2S)-3-Amino-1-(hydroxyamino)-1-oxo-2-propanyl]-4-(4-phenyl-1,3-butadiin-1-yl)benzamid [German] [ACD/IUPAC Name]
N-[(2S)-3-Amino-1-(hydroxyamino)-1-oxo-2-propanyl]-4-(4-phenyl-1,3-butadiyn-1-yl)benzamide [ACD/IUPAC Name]
N-[(2S)-3-Amino-1-(hydroxyamino)-1-oxo-2-propanyl]-4-(4-phényl-1,3-butadiyn-1-yl)benzamide [French] [ACD/IUPAC Name]
N-[(2s)-3-Amino-1-(Hydroxyamino)-1-Oxopropan-2-Yl]-4-(4-Phenylbuta-1,3-Diyn-1-Yl)benzamide
CS252
L52

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.52
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 13.43
ACD/KOC (pH 7.4): 192.40
Polar Surface Area: 104 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 257.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement