ChemSpider 2D Image | AT-076 | C26H35N3O3

AT-076

  • Molecular FormulaC26H35N3O3
  • Average mass437.574 Da
  • Monoisotopic mass437.267853 Da
  • ChemSpider ID58145111

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-7-hydroxy-N-[(2S)-1-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
(3R)-7-Hydroxy-N-{(2S)-1-[4-(3-hydroxyphenyl)-1-piperidinyl]-3-methyl-2-butanyl}-1,2,3,4-tetrahydro-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
(3R)-7-Hydroxy-N-{(2S)-1-[4-(3-hydroxyphényl)-1-pipéridinyl]-3-méthyl-2-butanyl}-1,2,3,4-tétrahydro-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
(3R)-7-Hydroxy-N-{(2S)-1-[4-(3-hydroxyphenyl)-1-piperidinyl]-3-methyl-2-butanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide [ACD/IUPAC Name]
3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-7-hydroxy-N-[(1S)-1-[[4-(3-hydroxyphenyl)-1-piperidinyl]methyl]-2-methylpropyl]-, (3R)- [ACD/Index Name]
AT-076 [Wiki]
1657028-64-2 [RN]
NT43S9Bkj2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 376.5±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 30.30
Polar Surface Area: 85 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 373.7±3.0 cm3

Click to predict properties on the Chemicalize site


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