ChemSpider 2D Image | (4R)-5-[(S)-(3,4-Difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydro-2(1H)-pyrimidinethione | C19H18F2N2O2S

(4R)-5-[(S)-(3,4-Difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydro-2(1H)-pyrimidinethione

  • Molecular FormulaC19H18F2N2O2S
  • Average mass376.420 Da
  • Monoisotopic mass376.105713 Da
  • ChemSpider ID25058175
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R)-5-[(S)-(3,4-Difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydro-2(1H)-pyrimidinethione [ACD/IUPAC Name]
(4R)-5-[(S)-(3,4-Difluorophényl)(hydroxy)méthyl]-4-(3-hydroxyphényl)-1,6-diméthyl-3,4-dihydro-2(1H)-pyrimidinethione [French] [ACD/IUPAC Name]
(4r)-5-[(S)-(3,4-Difluorophenyl)(Hydroxy)methyl]-4-(3-Hydroxyphenyl)-1,6-Dimethyl-3,4-Dihydropyrimidine-2(1h)-Thione
(4R)-5-[(S)-(3,4-Difluorphenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydro-2(1H)-pyrimidinthion [German] [ACD/IUPAC Name]
2(1H)-Pyrimidinethione, 5-[(S)-(3,4-difluorophenyl)hydroxymethyl]-3,4-dihydro-4-(3-hydroxyphenyl)-1,6-dimethyl-, (4R)- [ACD/Index Name]
Fluorastrol
X7E

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 538.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 279.2±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.75
ACD/KOC (pH 5.5): 741.32
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.33
ACD/KOC (pH 7.4): 736.97
Polar Surface Area: 88 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 262.8±5.0 cm3

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