ChemSpider 2D Image | Ertiprotafib | C31H27BrO3S

Ertiprotafib

  • Molecular FormulaC31H27BrO3S
  • Average mass559.513 Da
  • Monoisotopic mass558.086426 Da
  • ChemSpider ID138230

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[4-(9-Brom-2,3-dimethylnaphtho[2,3-b]thiophen-4-yl)-2,6-dimethylphenoxy]-3-phenylpropansäure [German] [ACD/IUPAC Name]
(2R)-2-[4-(9-Bromo-2,3-dimethylnaphtho[2,3-b]thiophen-4-yl)-2,6-dimethylphenoxy]-3-phenylpropanoic acid [ACD/IUPAC Name]
251303-04-5 [RN]
5TPM2EB426
Acide (2R)-2-[4-(9-bromo-2,3-diméthylnaphto[2,3-b]thiophén-4-yl)-2,6-diméthylphénoxy]-3-phénylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thien-4-yl)-2,6-dimethylphenoxy]-, (αR)- [ACD/Index Name]
Ertiprotafib [INN] [USAN]
(2R)-2-(4-(9-bromo-2,3-dimethylnaphtho(2,3-b)thiophen-4-yl)-2,6-dimethylphenoxy)-3-phenylpropionic acid
(2R)-2-(4-{9-BROMO-2,3-DIMETHYLNAPHTHO[2,3-B]THIOPHEN-4-YL}-2,6-DIMETHYLPHENOXY)-3-PHENYLPROPANOIC ACID
(2R)-2-[4-(9-bromo-2,3-dimethyl-4-benzo[f]benzothiophenyl)-2,6-dimethylphenoxy]-3-phenylpropanoic acid
More...

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

8226 [DBID]
PTP-112 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.5±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.90
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 42388.80
ACD/KOC (pH 5.5): 16084.87
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 1947.06
ACD/KOC (pH 7.4): 738.83
Polar Surface Area: 75 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 406.4±3.0 cm3

Click to predict properties on the Chemicalize site


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