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Search term: GSJOYFAUMSHIJL-ZETCQYMHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (7S)-2-[(3,5-Difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydro-6(5H)-pteridinone | C15H15F2N5O2

(7S)-2-[(3,5-Difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydro-6(5H)-pteridinone

  • Molecular FormulaC15H15F2N5O2
  • Average mass335.309 Da
  • Monoisotopic mass335.119385 Da
  • ChemSpider ID61712476

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-2-[(3,5-Difluor-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydro-6(5H)-pteridinon [German] [ACD/IUPAC Name]
(7S)-2-[(3,5-Difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydro-6(5H)-pteridinone [ACD/IUPAC Name]
(7S)-2-[(3,5-Difluoro-4-hydroxyphényl)amino]-5,7,8-triméthyl-7,8-dihydro-6(5H)-ptéridinone [French] [ACD/IUPAC Name]
6(5H)-Pteridinone, 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dihydro-5,7,8-trimethyl-, (7S)- [ACD/Index Name]
(7s)-2-[(3,5-Difluoro-4-Hydroxyphenyl)amino]-5,7-Dimethyl-8-(3-Methylbutyl)-7,8-Dihydropteridin-6(5h)-One
7DZ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 292.3±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 82.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 25.64
ACD/KOC (pH 5.5): 342.79
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 9.55
ACD/KOC (pH 7.4): 127.68
Polar Surface Area: 82 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 234.2±3.0 cm3

Click to predict properties on the Chemicalize site


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