ChemSpider 2D Image | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE | C31H37N3O5S

3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE

  • Molecular FormulaC31H37N3O5S
  • Average mass563.708 Da
  • Monoisotopic mass563.245361 Da
  • ChemSpider ID4451497

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE
4-Morpholinecarboxamide, N-[(1S)-2-oxo-1-(phenylmethyl)-2-[[(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl]amino]ethyl]- [ACD/Index Name]
Nα-(4-Morpholinylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-(4-Morpholinylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-(4-Morpholinylcarbonyl)-N-[(3S)-1-phényl-5-(phénylsulfonyl)-3-pentanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
VS1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 871.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 481.0±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 494.39
ACD/KOC (pH 5.5): 2951.33
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 494.31
ACD/KOC (pH 7.4): 2950.84
Polar Surface Area: 113 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 458.4±3.0 cm3

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