ChemSpider 2D Image | 2-[(4,6-Dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl 3-nitro-4-(1-piperidinyl)benzoate | C20H23N5O7

2-[(4,6-Dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl 3-nitro-4-(1-piperidinyl)benzoate

  • Molecular FormulaC20H23N5O7
  • Average mass445.426 Da
  • Monoisotopic mass445.159760 Da
  • ChemSpider ID22087664

More details:

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

2-[(4,6-Dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl 3-nitro-4-(1-piperidinyl)benzoate [ACD/IUPAC Name]
2-[(4,6-Dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl-3-nitro-4-(1-piperidinyl)benzoat [German] [ACD/IUPAC Name]
3-Nitro-4-(1-pipéridinyl)benzoate de 2-[(4,6-diméthoxy-2-pyrimidinyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-nitro-4-(1-piperidinyl)-, 2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl ester [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 126.60
ACD/KOC (pH 5.5): 1112.94
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 122.95
ACD/KOC (pH 7.4): 1080.89
Polar Surface Area: 149 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 323.4±3.0 cm3

Click to predict properties on the Chemicalize site


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