Found 1 result

Search term: YLQODGGPIHWTHR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | NMS-E973 | C22H22N4O7

NMS-E973

  • Molecular FormulaC22H22N4O7
  • Average mass454.433 Da
  • Monoisotopic mass454.148834 Da
  • ChemSpider ID30840503

More details:

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

1253584-84-7 [RN]
3-Isoxazolecarboxamide, 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methyl-4-piperidinyl)- [ACD/Index Name]
5-[2,4-Dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methyl-4-piperidinyl)-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
5-[2,4-Dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methyl-4-piperidinyl)-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-[2,4-Dihydroxy-6-(4-nitrophénoxy)phényl]-N-(1-méthyl-4-pipéridinyl)-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
NMS-E973
[1253584-84-7] [RN]
5-(2,4-Dihydroxy-6-(4-nitrophenoxy)phenyl)-N-(1-methylpiperidin-4-yl)isoxazole-3-carboxamide
5-[2,4-Dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methyl-4-piperidinyl)-3-isoxazolecarboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 369.2±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.74
Polar Surface Area: 154 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 301.8±5.0 cm3

Click to predict properties on the Chemicalize site


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