Found 210 results

Search term: MF = 'C_{29}H_{25}Cl_{2}N_{3}O_{4}'
ChemSpider 2D Image | 1-(3,4-Dichlorobenzyl)-3'-ethyl-5'-(4-methoxyphenyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione | C29H25Cl2N3O4

1-(3,4-Dichlorobenzyl)-3'-ethyl-5'-(4-methoxyphenyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

  • Molecular FormulaC29H25Cl2N3O4
  • Average mass550.432 Da
  • Monoisotopic mass549.122192 Da
  • ChemSpider ID4455921

More details:

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

1-(3,4-Dichlorobenzyl)-3'-ethyl-5'-(4-methoxyphenyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(2'H)-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,1H)-trione, 1-[(3,4-dichlorophenyl)methyl]-3'-ethyl-2',3',3'a,6'a-tetrahydro-5'-(4-methoxyphenyl)- [ACD/Index Name]
9-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-(4-methoxyphenyl)spiro[2,4,5,6,3a,6a-hexahydro-2,5-diazapentalene-6,3'-indoline]-1,3,10-trione

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

A3732/0158205 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 829.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 455.3±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 3899.51
ACD/KOC (pH 5.5): 12228.97
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4748.22
ACD/KOC (pH 7.4): 14890.56
Polar Surface Area: 79 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 371.6±5.0 cm3

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