ChemSpider 2D Image | N-[(1S)-1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | C21H25ClFN5O3

N-[(1S)-1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide

  • Molecular FormulaC21H25ClFN5O3
  • Average mass449.906 Da
  • Monoisotopic mass449.162994 Da
  • ChemSpider ID34248111

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-[(1S)-1-(3-Chlor-4-fluorphenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-carboxamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide [ACD/IUPAC Name]
N-[(1S)-1-(3-Chloro-4-fluorophényl)-2-hydroxyéthyl]-2-(tétrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide [French] [ACD/IUPAC Name]
Pyrido[3,4-d]pyrimidine-7(6H)-carboxamide, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-5,8-dihydro-2-[(tetrahydro-2H-pyran-4-yl)amino]- [ACD/Index Name]
2SH

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: 1.636
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 47.90
ACD/KOC (pH 5.5): 552.25
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.74
ACD/KOC (pH 7.4): 562.05
Polar Surface Area: 100 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 318.5±3.0 cm3

Click to predict properties on the Chemicalize site


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