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Search term: NC1CCN(CC1)c1cc(NCc2cnc(N)nc2)c(cc1[N+]([O-])=O)C(N)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-(4-Amino-1-piperidinyl)-2-{[(2-amino-5-pyrimidinyl)methyl]amino}-5-nitrobenzamide | C17H22N8O3

4-(4-Amino-1-piperidinyl)-2-{[(2-amino-5-pyrimidinyl)methyl]amino}-5-nitrobenzamide

  • Molecular FormulaC17H22N8O3
  • Average mass386.408 Da
  • Monoisotopic mass386.181488 Da
  • ChemSpider ID35034696

More details:

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

4-(4-Amino-1-piperidinyl)-2-{[(2-amino-5-pyrimidinyl)methyl]amino}-5-nitrobenzamid [German] [ACD/IUPAC Name]
4-(4-Amino-1-piperidinyl)-2-{[(2-amino-5-pyrimidinyl)methyl]amino}-5-nitrobenzamide [ACD/IUPAC Name]
4-(4-Amino-1-pipéridinyl)-2-{[(2-amino-5-pyrimidinyl)méthyl]amino}-5-nitrobenzamide [French] [ACD/IUPAC Name]
4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
Benzamide, 4-(4-amino-1-piperidinyl)-2-[[(2-amino-5-pyrimidinyl)methyl]amino]-5-nitro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.0±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 104.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 86.0±3.0 dyne/cm
Molar Volume: 268.7±3.0 cm3

Click to predict properties on the Chemicalize site


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