ChemSpider 2D Image | LY-377604 | C31H32N4O4

LY-377604

  • Molecular FormulaC31H32N4O4
  • Average mass524.610 Da
  • Monoisotopic mass524.242371 Da
  • ChemSpider ID8025412
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

204592-94-9 [RN]
3-Pyridinecarboxamide, 6-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]- [ACD/Index Name]
6-[4-(2-{[(2S)-3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl]amino}-2-methylpropyl)phenoxy]nicotinamid [German] [ACD/IUPAC Name]
6-[4-(2-{[(2S)-3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl]amino}-2-methylpropyl)phenoxy]nicotinamide [ACD/IUPAC Name]
6-[4-(2-{[(2S)-3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl]amino}-2-méthylpropyl)phénoxy]nicotinamide [French] [ACD/IUPAC Name]
LY-377604
6-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]-3-pyridinecarboxamide
6-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]phenoxy]nicotinamide
6-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
6-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]phenoxy]pyridine-3-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

OCC6TB3P6K [DBID]
UNII:OCC6TB3P6K [DBID]
UNII-OCC6TB3P6K [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 809.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.3±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 6.01
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 15.48
ACD/KOC (pH 7.4): 67.23
Polar Surface Area: 122 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 409.0±3.0 cm3

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