Found 255 results

Search term: MF = 'C_{29}H_{23}Cl_{3}N_{2}O_{4}'
ChemSpider 2D Image | (3aS,4S,7aR)-4-(2-Chloro-4-hydroxyphenyl)-2-[(2,4-dichlorophenyl)amino]-3a-(4-methoxyphenyl)-5-vinyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione | C29H23Cl3N2O4

(3aS,4S,7aR)-4-(2-Chloro-4-hydroxyphenyl)-2-[(2,4-dichlorophenyl)amino]-3a-(4-methoxyphenyl)-5-vinyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC29H23Cl3N2O4
  • Average mass569.863 Da
  • Monoisotopic mass568.072327 Da
  • ChemSpider ID5069486

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,4S,7aR)-4-(2-Chlor-4-hydroxyphenyl)-2-[(2,4-dichlorphenyl)amino]-3a-(4-methoxyphenyl)-5-vinyl-3a,4,7,7a-tetrahydro-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
(3aS,4S,7aR)-4-(2-Chloro-4-hydroxyphenyl)-2-[(2,4-dichlorophenyl)amino]-3a-(4-methoxyphenyl)-5-vinyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
(3aS,4S,7aR)-4-(2-Chloro-4-hydroxyphényl)-2-[(2,4-dichlorophényl)amino]-3a-(4-méthoxyphényl)-5-vinyl-3a,4,7,7a-tétrahydro-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
1H-Isoindole-1,3(2H)-dione, 4-(2-chloro-4-hydroxyphenyl)-2-[(2,4-dichlorophenyl)amino]-5-ethenyl-3a,4,7,7a-tetrahydro-3a-(4-methoxyphenyl)-, (3aS,4S,7aR)- [ACD/Index Name]
DAP1_000340
DAP2_000778

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

Density: 1.5±0.1 g/cm3
Boiling Point: 662.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 354.4±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 150.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 73367.59
ACD/KOC (pH 5.5): 105747.26
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71595.01
ACD/KOC (pH 7.4): 103192.36
Polar Surface Area: 79 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 383.2±3.0 cm3

Click to predict properties on the Chemicalize site


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