Found 83 results

Search term: MF = 'C_{35}H_{38}N_{2}O_{5}S'
ChemSpider 2D Image | 4-[(3-Butoxyphenyl)(hydroxy)methylene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[4-(pentyloxy)phenyl]-2,3-pyrrolidinedione | C35H38N2O5S

4-[(3-Butoxyphenyl)(hydroxy)methylene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[4-(pentyloxy)phenyl]-2,3-pyrrolidinedione

  • Molecular FormulaC35H38N2O5S
  • Average mass598.752 Da
  • Monoisotopic mass598.250122 Da
  • ChemSpider ID3677127

More details:

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

2,3-Pyrrolidinedione, 4-[(3-butoxyphenyl)hydroxymethylene]-1-(4,6-dimethyl-2-benzothiazolyl)-5-[4-(pentyloxy)phenyl]- [ACD/Index Name]
4-[(3-Butoxyphenyl)(hydroxy)methylen]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[4-(pentyloxy)phenyl]-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
4-[(3-Butoxyphenyl)(hydroxy)methylene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[4-(pentyloxy)phenyl]-2,3-pyrrolidinedione [ACD/IUPAC Name]
4-[(3-Butoxyphényl)(hydroxy)méthylène]-1-(4,6-diméthyl-1,3-benzothiazol-2-yl)-5-[4-(pentyloxy)phényl]-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 748.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.5±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 171.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.16
ACD/LogD (pH 5.5): 8.02
ACD/BCF (pH 5.5): 725634.25
ACD/KOC (pH 5.5): 544139.94
ACD/LogD (pH 7.4): 7.81
ACD/BCF (pH 7.4): 452877.34
ACD/KOC (pH 7.4): 339604.50
Polar Surface Area: 117 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 482.7±3.0 cm3

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