Found 19 results

Search term: MF = 'C_{32}H_{28}F_{3}N_{5}O_{4}'
ChemSpider 2D Image | N-{(1R)-1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]ethyl}-N-(3-pyridinylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide | C32H28F3N5O4

N-{(1R)-1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]ethyl}-N-(3-pyridinylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

  • Molecular FormulaC32H28F3N5O4
  • Average mass603.591 Da
  • Monoisotopic mass603.209351 Da
  • ChemSpider ID23287082

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, N-[(1R)-1-[3-(4-ethoxyphenyl)-3,4-dihydro-4-oxopyrido[3,4-d]pyrimidin-2-yl]ethyl]-N-(3-pyridinylmethyl)-4-(trifluoromethoxy)- [ACD/Index Name]
N-{(1R)-1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]ethyl}-N-(3-pyridinylmethyl)-2-[4-(trifluormethoxy)phenyl]acetamid [German] [ACD/IUPAC Name]
N-{(1R)-1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]ethyl}-N-(3-pyridinylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide [ACD/IUPAC Name]
N-{(1R)-1-[3-(4-Éthoxyphényl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]éthyl}-N-(3-pyridinylméthyl)-2-[4-(trifluorométhoxy)phényl]acétamide [French] [ACD/IUPAC Name]
N-{(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]ethyl}-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethoxy)phenyl)acetamide
CHEMBL397984
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL397984/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.4±35.7 °C
Index of Refraction: 1.606
Molar Refractivity: 158.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 347.24
ACD/KOC (pH 5.5): 2253.18
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 368.39
ACD/KOC (pH 7.4): 2390.42
Polar Surface Area: 97 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 459.7±7.0 cm3

Click to predict properties on the Chemicalize site


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