ChemSpider 2D Image | (3S)-N~3~-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-(methylsulfonyl)-N~1~-phenyl-1,3-piperazinedicarboxamide | C24H28N6O5S

(3S)-N3-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-(methylsulfonyl)-N1-phenyl-1,3-piperazinedicarboxamide

  • Molecular FormulaC24H28N6O5S
  • Average mass512.581 Da
  • Monoisotopic mass512.184204 Da
  • ChemSpider ID10061940

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-N3-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-(methylsulfonyl)-N1-phenyl-1,3-piperazindicarboxamid [German] [ACD/IUPAC Name]
(3S)-N3-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-(methylsulfonyl)-N1-phenyl-1,3-piperazinedicarboxamide [ACD/IUPAC Name]
(3S)-N3-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-(méthylsulfonyl)-N1-phényl-1,3-pipérazinedicarboxamide [French] [ACD/IUPAC Name]
1,3-Piperazinedicarboxamide, N3-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-4-(methylsulfonyl)-N1-phenyl-, (3S)- [ACD/Index Name]

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

ZINC04277949 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.31
ACD/KOC (pH 5.5): 81.99
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 81.99
Polar Surface Area: 166 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 349.5±5.0 cm3

Click to predict properties on the Chemicalize site


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