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Search term: NC(=O)c1cc(c(cc1NCc1cnc(N)nc1)N1CCOCC1)[N+]([O-])=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-4-(4-morpholinyl)-5-nitrobenzamide | C16H19N7O4

2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-4-(4-morpholinyl)-5-nitrobenzamide

  • Molecular FormulaC16H19N7O4
  • Average mass373.367 Da
  • Monoisotopic mass373.149841 Da
  • ChemSpider ID35034693

More details:

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

2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-4-(4-morpholinyl)-5-nitrobenzamid [German] [ACD/IUPAC Name]
2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-4-(4-morpholinyl)-5-nitrobenzamide [ACD/IUPAC Name]
2-{[(2-Amino-5-pyrimidinyl)méthyl]amino}-4-(4-morpholinyl)-5-nitrobenzamide [French] [ACD/IUPAC Name]
2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide
Benzamide, 2-[[(2-amino-5-pyrimidinyl)methyl]amino]-4-(4-morpholinyl)-5-nitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 666.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.7±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 98.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.69
ACD/KOC (pH 5.5): 120.44
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.75
ACD/KOC (pH 7.4): 121.66
Polar Surface Area: 165 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 87.3±3.0 dyne/cm
Molar Volume: 252.2±3.0 cm3

Click to predict properties on the Chemicalize site


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