ChemSpider 2D Image | (3S)-N-[3-(Trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}-3-piperidinecarboxamide | C27H30F3N5O5

(3S)-N-[3-(Trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}-3-piperidinecarboxamide

  • Molecular FormulaC27H30F3N5O5
  • Average mass561.553 Da
  • Monoisotopic mass561.219910 Da
  • ChemSpider ID28531653
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-N-[3-(Trifluormethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3S)-N-[3-(Trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
(3S)-N-[3-(Trifluorométhoxy)benzyl]-1-{2-[(3,4,5-triméthoxyphényl)amino]-4-pyrimidinyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3s)-N-[3-(Trifluoromethoxy)benzyl]-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
3-Piperidinecarboxamide, N-[[3-(trifluoromethoxy)phenyl]methyl]-1-[2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]-, (3S)- [ACD/Index Name]
NZF

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 8.99
ACD/KOC (pH 5.5): 53.44
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 273.50
ACD/KOC (pH 7.4): 1626.48
Polar Surface Area: 107 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 427.4±3.0 cm3

Click to predict properties on the Chemicalize site






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