ChemSpider 2D Image | (3S)-N-(4-Methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}-3-piperidinecarboxamide | C27H33N5O4

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

  • Molecular FormulaC27H33N5O4
  • Average mass491.582 Da
  • Monoisotopic mass491.253265 Da
  • ChemSpider ID28499233

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-N-(4-Methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3S)-N-(4-Methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
(3S)-N-(4-Méthylbenzyl)-1-{2-[(3,4,5-triméthoxyphényl)amino]-4-pyrimidinyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3s)-N-(4-Methylbenzyl)-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
3-Piperidinecarboxamide, N-[(4-methylphenyl)methyl]-1-[2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]-, (3S)- [ACD/Index Name]
0JF

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 4.74
ACD/KOC (pH 5.5): 33.10
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 148.75
ACD/KOC (pH 7.4): 1039.21
Polar Surface Area: 98 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

Click to predict properties on the Chemicalize site


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