ChemSpider 2D Image | N-{2-[sec-Butyl(2-furylmethyl)amino]ethyl}-1-{[6-(4-propoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl}-3-piperidinecarboxamide | C33H45N5O5

N-{2-[sec-Butyl(2-furylmethyl)amino]ethyl}-1-{[6-(4-propoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl}-3-piperidinecarboxamide

  • Molecular FormulaC33H45N5O5
  • Average mass591.741 Da
  • Monoisotopic mass591.342041 Da
  • ChemSpider ID75933767

More details:

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

3-Piperidinecarboxamide, 1-[[6,7-dihydro-6-(4-propoxyphenyl)-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl]-N-[2-[(2-furanylmethyl)(1-methylpropyl)amino]ethyl]- [ACD/Index Name]
N-{2-[sec-Butyl(2-furylmethyl)amino]ethyl}-1-{[6-(4-propoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{2-[sec-Butyl(2-furylmethyl)amino]ethyl}-1-{[6-(4-propoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
N-{2-[sec-Butyl(2-furylméthyl)amino]éthyl}-1-{[6-(4-propoxyphényl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 795.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 434.7±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 165.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 9.47
ACD/KOC (pH 7.4): 90.59
Polar Surface Area: 102 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 473.5±7.0 cm3

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