ChemSpider 2D Image | N-[4-(1-Azepanylsulfonyl)phenyl]-1-{[6-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl}-3-piperidinecarboxamide | C37H41N5O6S

N-[4-(1-Azepanylsulfonyl)phenyl]-1-{[6-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl}-3-piperidinecarboxamide

  • Molecular FormulaC37H41N5O6S
  • Average mass683.816 Da
  • Monoisotopic mass683.277771 Da
  • ChemSpider ID75913688

More details:

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

3-Piperidinecarboxamide, 1-[[6,7-dihydro-6-(4-phenoxyphenyl)-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl]-N-[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]- [ACD/Index Name]
N-[4-(1-Azepanylsulfonyl)phenyl]-1-{[6-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[4-(1-Azepanylsulfonyl)phenyl]-1-{[6-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]carbonyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
N-[4-(1-Azépanylsulfonyl)phényl]-1-{[6-(4-phénoxyphényl)-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, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 187.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3207.91
ACD/KOC (pH 5.5): 11255.07
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3207.93
ACD/KOC (pH 7.4): 11255.13
Polar Surface Area: 131 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 496.7±7.0 cm3

Click to predict properties on the Chemicalize site


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