ChemSpider 2D Image | (2S)-2-{[(4-{[Hydroxy(4-methoxyphenyl)methylene]amino}phenyl)sulfonyl]amino}-5-(4-morpholinyl)-3-pentynoic acid | C23H25N3O7S

(2S)-2-{[(4-{[Hydroxy(4-methoxyphenyl)methylene]amino}phenyl)sulfonyl]amino}-5-(4-morpholinyl)-3-pentynoic acid

  • Molecular FormulaC23H25N3O7S
  • Average mass487.526 Da
  • Monoisotopic mass487.141327 Da
  • ChemSpider ID57643114

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[(4-{[Hydroxy(4-methoxyphenyl)methylen]amino}phenyl)sulfonyl]amino}-5-(4-morpholinyl)-3-pentinsäure [German] [ACD/IUPAC Name]
(2S)-2-{[(4-{[Hydroxy(4-methoxyphenyl)methylene]amino}phenyl)sulfonyl]amino}-5-(4-morpholinyl)-3-pentynoic acid [ACD/IUPAC Name]
3-Pentynoic acid, 2-[[[4-[[hydroxy(4-methoxyphenyl)methylene]amino]phenyl]sulfonyl]amino]-5-(4-morpholinyl)-, (2S)- [ACD/Index Name]
Acide (2S)-2-{[(4-{[hydroxy(4-méthoxyphényl)méthylène]amino}phényl)sulfonyl]amino}-5-(4-morpholinyl)-3-pentynoïque [French] [ACD/IUPAC 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: 735.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 398.9±35.7 °C
Index of Refraction: 1.614
Molar Refractivity: 125.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 361.4±7.0 cm3

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