ChemSpider 2D Image | Empesertib | C29H26FN5O4S

Empesertib

  • Molecular FormulaC29H26FN5O4S
  • Average mass559.611 Da
  • Monoisotopic mass559.168945 Da
  • ChemSpider ID35308224
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-(4-Fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propanamide [ACD/IUPAC Name]
(2R)-2-(4-Fluorophényl)-N-[4-(2-{[2-méthoxy-4-(méthylsulfonyl)phényl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phényl]propanamide [French] [ACD/IUPAC Name]
(2R)-2-(4-Fluorphenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propanamid [German] [ACD/IUPAC Name]
10550
1443763-60-7 [RN]
Benzeneacetamide, 4-fluoro-N-[4-[2-[[2-methoxy-4-(methylsulfonyl)phenyl]amino][1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-α-methyl-, (αR)- [ACD/Index Name]
empesertib [Spanish] [INN]
Empesertib [INN]
empésertib [French] [INN]
empesertibum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

02Y3Z2756M [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 150.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 659.44
ACD/KOC (pH 5.5): 3607.69
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 671.90
ACD/KOC (pH 7.4): 3675.83
Polar Surface Area: 123 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 410.0±7.0 cm3

Click to predict properties on the Chemicalize site






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