Found 364 results

Search term: MF = 'C_{34}H_{35}N_{3}O_{2}'
ChemSpider 2D Image | (1'R,2'S,3R,5''E,7a'S)-1''-Methyl-5''-(4-methylbenzylidene)-1'-(4-methylphenyl)-5',6',7',7a'-tetrahydro-1'H,4''H-dispiro[indole-3,3'-pyrrolizine-2',3''-piperidine]-2,4''(1H)-dione | C34H35N3O2

(1'R,2'S,3R,5''E,7a'S)-1''-Methyl-5''-(4-methylbenzylidene)-1'-(4-methylphenyl)-5',6',7',7a'-tetrahydro-1'H,4''H-dispiro[indole-3,3'-pyrrolizine-2',3''-piperidine]-2,4''(1H)-dione

  • Molecular FormulaC34H35N3O2
  • Average mass517.661 Da
  • Monoisotopic mass517.272949 Da
  • ChemSpider ID23343896

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1'R,2'S,3R,5''E,7a'S)-1''-Methyl-5''-(4-methylbenzyliden)-1'-(4-methylphenyl)-5',6',7',7a'-tetrahydro-1'H,4''H-dispiro[indole-3,3'-pyrrolizine-2',3''-piperidine]-2,4''(1H)-dion [German] [ACD/IUPAC Name]
(1'R,2'S,3R,5''E,7a'S)-1''-Methyl-5''-(4-methylbenzylidene)-1'-(4-methylphenyl)-5',6',7',7a'-tetrahydro-1'H,4''H-dispiro[indole-3,3'-pyrrolizine-2',3''-piperidine]-2,4''(1H)-dione [ACD/IUPAC Name]
(1'R,2'S,3R,5''E,7a'S)-1''-Méthyl-5''-(4-méthylbenzylidène)-1'-(4-méthylphényl)-5',6',7',7a'-tétrahydro-1'H,4''H-dispiro[indole-3,3'-pyrrolizine-2',3''-piperidine]-2,4''(1H)-dione [French] [ACD/IUPAC Name]
Dispiro[3H-indole-3,3'-[1H]pyrrolizine-2'(1'H),3''-piperidine]-2,4''(1H)-dione, 5',6',7',7'a-tetrahydro-1''-methyl-1'-(4-methylphenyl)-5''-[(4-methylphenyl)methylene]-, (1'R,2'S,3R,5''E,7a'S)- [ACD/Index Name]
(±)-(E)-Spiro[2.3″]oxindole-spiro[3.3′]-1′-methyl-5′-(4-methylphenylmethylidene)tetrahydro-4′(1H)-pyridinone-4-(4-methylphenyl)hexahydro-1H-pyrrolizine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512959/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 729.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.0±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 153.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 7664.56
ACD/KOC (pH 5.5): 14672.35
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26206.61
ACD/KOC (pH 7.4): 50167.54
Polar Surface Area: 53 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 401.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement