Found 10 results

Search term: MF = 'C_{31}H_{26}F_{2}N_{4}O_{3}S'
ChemSpider 2D Image | 3-[(2R)-2-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-6-methyl-2,4(1H,3H)-pyrimidinedione | C31H26F2N4O3S

3-[(2R)-2-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-6-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC31H26F2N4O3S
  • Average mass572.625 Da
  • Monoisotopic mass572.169373 Da
  • ChemSpider ID23250528

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-[2-(2,3-dihydro-5-benzofuranyl)-4-thiazolyl]-6-methyl- [ACD/Index Name]
3-[(2R)-2-Amino-2-phenylethyl]-1-(2,6-difluorbenzyl)-5-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-6-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
3-[(2R)-2-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-6-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
3-[(2R)-2-Amino-2-phényléthyl]-1-(2,6-difluorobenzyl)-5-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-6-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
3-[(2R)-2-amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-6-methylpyrimidine-2,4(1H,3H)-dione
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(2,3-dihydro-benzofuran-5-yl)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione
CHEMBL364840
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL364840/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 741.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 401.9±35.7 °C
Index of Refraction: 1.655
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.30
ACD/KOC (pH 5.5): 16.46
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 180.05
ACD/KOC (pH 7.4): 689.19
Polar Surface Area: 117 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 412.6±3.0 cm3

Click to predict properties on the Chemicalize site


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