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Search term: NC(=O)c1cc(c(NCCCN2CCOCC2)cc1NCc1cccnc1)[N+]([O-])=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-{[3-(4-Morpholinyl)propyl]amino}-5-nitro-2-[(3-pyridinylmethyl)amino]benzamide | C20H26N6O4

4-{[3-(4-Morpholinyl)propyl]amino}-5-nitro-2-[(3-pyridinylmethyl)amino]benzamide

  • Molecular FormulaC20H26N6O4
  • Average mass414.458 Da
  • Monoisotopic mass414.201538 Da
  • ChemSpider ID35034626

More details:

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

4-{[3-(4-Morpholinyl)propyl]amino}-5-nitro-2-[(3-pyridinylmethyl)amino]benzamid [German] [ACD/IUPAC Name]
4-{[3-(4-Morpholinyl)propyl]amino}-5-nitro-2-[(3-pyridinylmethyl)amino]benzamide [ACD/IUPAC Name]
4-{[3-(4-Morpholinyl)propyl]amino}-5-nitro-2-[(3-pyridinylméthyl)amino]benzamide [French] [ACD/IUPAC Name]
4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
Benzamide, 4-[[3-(4-morpholinyl)propyl]amino]-5-nitro-2-[(3-pyridinylmethyl)amino]- [ACD/Index 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: 622.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.5±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 114.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.25
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 20.29
ACD/KOC (pH 7.4): 253.06
Polar Surface Area: 138 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 310.4±3.0 cm3

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