ChemSpider 2D Image | (7S)-2-[(3,5-Difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydro-6(5H)-pteridinone | C19H23F2N5O2

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

  • Molecular FormulaC19H23F2N5O2
  • Average mass391.415 Da
  • Monoisotopic mass391.181976 Da
  • ChemSpider ID32789897

  • 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-dimethyl-8-(3-methylbutyl)-7,8-dihydro-6(5H)-pteridinon [German] [ACD/IUPAC Name]
(7S)-2-[(3,5-Difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydro-6(5H)-pteridinone [ACD/IUPAC Name]
(7S)-2-[(3,5-Difluoro-4-hydroxyphényl)amino]-5,7-diméthyl-8-(3-méthylbutyl)-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-dimethyl-8-(3-methylbutyl)-, (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: 1.3±0.1 g/cm3
Boiling Point: 579.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 304.2±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 303.33
ACD/KOC (pH 5.5): 2016.78
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 113.85
ACD/KOC (pH 7.4): 756.95
Polar Surface Area: 82 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 301.7±3.0 cm3

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