Found 83 results

Search term: MF = 'C_{35}H_{38}N_{2}O_{5}S'
ChemSpider 2D Image | (3aS,6S,8aS,8bR)-2-Cyclohexyl-5-ethoxy-7-[(4-methylphenyl)sulfonyl]-6-(1-naphthyl)-4,6,7,8,8a,8b-hexahydropyrrolo[3,4-e]isoindole-1,3(2H,3aH)-dione | C35H38N2O5S

(3aS,6S,8aS,8bR)-2-Cyclohexyl-5-ethoxy-7-[(4-methylphenyl)sulfonyl]-6-(1-naphthyl)-4,6,7,8,8a,8b-hexahydropyrrolo[3,4-e]isoindole-1,3(2H,3aH)-dione

  • Molecular FormulaC35H38N2O5S
  • Average mass598.752 Da
  • Monoisotopic mass598.250122 Da
  • ChemSpider ID29401180

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,6S,8aS,8bR)-2-Cyclohexyl-5-ethoxy-7-[(4-methylphenyl)sulfonyl]-6-(1-naphthyl)-4,6,7,8,8a,8b-hexahydropyrrolo[3,4-e]isoindol-1,3(2H,3aH)-dion [German] [ACD/IUPAC Name]
(3aS,6S,8aS,8bR)-2-Cyclohexyl-5-ethoxy-7-[(4-methylphenyl)sulfonyl]-6-(1-naphthyl)-4,6,7,8,8a,8b-hexahydropyrrolo[3,4-e]isoindole-1,3(2H,3aH)-dione [ACD/IUPAC Name]
(3aS,6S,8aS,8bR)-2-Cyclohexyl-5-éthoxy-7-[(4-méthylphényl)sulfonyl]-6-(1-naphtyl)-4,6,7,8,8a,8b-hexahydropyrrolo[3,4-e]isoindole-1,3(2H,3aH)-dione [French] [ACD/IUPAC Name]
Pyrrolo[3,4-e]isoindole-1,3(2H,3aH)-dione, 2-cyclohexyl-5-ethoxy-4,6,7,8,8a,8b-hexahydro-7-[(4-methylphenyl)sulfonyl]-6-(1-naphthalenyl)-, (3aS,6S,8aS,8bR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 796.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.5±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 166.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 213546.55
ACD/KOC (pH 5.5): 227209.38
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 213546.55
ACD/KOC (pH 7.4): 227209.38
Polar Surface Area: 92 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 443.1±5.0 cm3

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