ChemSpider 2D Image | N-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-N'-{4-chloro-3-[(4-methyl-1-piperazinyl)methyl]phenyl}-1,1-cyclopropanedicarboxamide | C30H31ClN6O3

N-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-N'-{4-chloro-3-[(4-methyl-1-piperazinyl)methyl]phenyl}-1,1-cyclopropanedicarboxamide

  • Molecular FormulaC30H31ClN6O3
  • Average mass559.058 Da
  • Monoisotopic mass558.214600 Da
  • ChemSpider ID58968695

More details:

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

1,1-Cyclopropanedicarboxamide, N-[4-(3-amino-1,2-benzisoxazol-4-yl)phenyl]-N'-[4-chloro-3-[(4-methyl-1-piperazinyl)methyl]phenyl]- [ACD/Index Name]
N-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-N'-{4-chlor-3-[(4-methyl-1-piperazinyl)methyl]phenyl}-1,1-cyclopropandicarboxamid [German] [ACD/IUPAC Name]
N-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-N'-{4-chloro-3-[(4-methyl-1-piperazinyl)methyl]phenyl}-1,1-cyclopropanedicarboxamide [ACD/IUPAC Name]
N-[4-(3-Amino-1,2-benzoxazol-4-yl)phényl]-N'-{4-chloro-3-[(4-méthyl-1-pipérazinyl)méthyl]phényl}-1,1-cyclopropanedicarboxamide [French] [ACD/IUPAC 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: 846.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 465.6±34.3 °C
Index of Refraction: 1.720
Molar Refractivity: 156.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.61
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 38.47
ACD/KOC (pH 7.4): 370.41
Polar Surface Area: 117 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 395.9±3.0 cm3

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