ChemSpider 2D Image | N-[(2S)-1-Oxo-1-{[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]amino}-4-(phenylsulfonyl)-2-butanyl]-4-morpholinecarboxamide | C32H39N3O7S2

N-[(2S)-1-Oxo-1-{[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]amino}-4-(phenylsulfonyl)-2-butanyl]-4-morpholinecarboxamide

  • Molecular FormulaC32H39N3O7S2
  • Average mass641.798 Da
  • Monoisotopic mass641.222961 Da
  • ChemSpider ID10015469

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Morpholinecarboxamide, N-[(1S)-1-[[[(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl]amino]carbonyl]-3-(phenylsulfonyl)propyl]- [ACD/Index Name]
N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE
N-[(2S)-1-Oxo-1-{[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]amino}-4-(phenylsulfonyl)-2-butanyl]-4-morpholincarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Oxo-1-{[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]amino}-4-(phenylsulfonyl)-2-butanyl]-4-morpholinecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-Oxo-1-{[(3S)-1-phényl-5-(phénylsulfonyl)-3-pentanyl]amino}-4-(phénylsulfonyl)-2-butanyl]-4-morpholinecarboxamide [French] [ACD/IUPAC Name]
MQQ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 969.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.4±3.0 kJ/mol
Flash Point: 540.1±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 169.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 71.94
ACD/KOC (pH 5.5): 742.75
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 71.91
ACD/KOC (pH 7.4): 742.41
Polar Surface Area: 156 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 500.4±3.0 cm3

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