Found 130 results

Search term: MF = 'C_{29}H_{30}F_{3}N_{3}O_{2}'
ChemSpider 2D Image | (3E)-1-{4-[4-(Diethylamino)butoxy]phenyl}-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one | C29H30F3N3O2

(3E)-1-{4-[4-(Diethylamino)butoxy]phenyl}-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC29H30F3N3O2
  • Average mass509.563 Da
  • Monoisotopic mass509.229004 Da
  • ChemSpider ID23273527

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1-{4-[4-(Diethylamino)butoxy]phenyl}-3-{[3-(trifluormethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3E)-1-{4-[4-(Diethylamino)butoxy]phenyl}-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3E)-1-{4-[4-(Diéthylamino)butoxy]phényl}-3-{[3-(trifluorométhyl)phényl]imino}-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 1-[4-[4-(diethylamino)butoxy]phenyl]-1,3-dihydro-3-[[3-(trifluoromethyl)phenyl]imino]-, (3E)- [ACD/Index Name]
1-(4-(4-(diethylamino)butoxy)phenyl)-3-(3-(trifluoromethyl)phenylimino)indolin-2-one
CHEMBL377328
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL377328/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.9±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 96.16
ACD/KOC (pH 5.5): 120.73
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 207.11
ACD/KOC (pH 7.4): 260.03
Polar Surface Area: 45 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 39.1±7.0 dyne/cm
Molar Volume: 427.2±7.0 cm3

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