ChemSpider 2D Image | 3-{2,6-Difluoro-3,5-bis[(~2~H_3_)methyloxy]phenyl}-1-ethyl-8-(4-morpholinylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one | C24H21D6F2N5O4

3-{2,6-Difluoro-3,5-bis[(2H3)methyloxy]phenyl}-1-ethyl-8-(4-morpholinylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one

  • Molecular FormulaC24H21D6F2N5O4
  • Average mass493.536 Da
  • Monoisotopic mass493.240784 Da
  • ChemSpider ID128918042

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-Pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one, 3-[2,6-difluoro-3,5-bis(methyl-d3-oxy)phenyl]-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)- [ACD/Index Name]
3-{2,6-Difluor-3,5-bis[(2H3)methyloxy]phenyl}-1-ethyl-8-(4-morpholinylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-on [German] [ACD/IUPAC Name]
3-{2,6-Difluoro-3,5-bis[(2H3)methyloxy]phenyl}-1-ethyl-8-(4-morpholinylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one [ACD/IUPAC Name]
3-{2,6-Difluoro-3,5-bis[(2H3)méthyloxy]phényl}-1-éthyl-8-(4-morpholinylméthyl)-1,3,4,7-tétrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one [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: 1.620
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.00
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 7.95
ACD/KOC (pH 7.4): 141.60
Polar Surface Area: 83 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

Click to predict properties on the Chemicalize site


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