Found 83 results

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

4-(3-Butoxybenzoyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC35H38N2O5S
  • Average mass598.752 Da
  • Monoisotopic mass598.250122 Da
  • ChemSpider ID11965919

More details:

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

2H-Pyrrol-2-one, 4-(3-butoxybenzoyl)-1-(4,6-dimethyl-2-benzothiazolyl)-1,5-dihydro-3-hydroxy-5-[4-(pentyloxy)phenyl]- [ACD/Index Name]
4-(3-Butoxybenzoyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(3-Butoxybenzoyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(3-Butoxybenzoyl)-1-(4,6-diméthyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-[4-(pentyloxy)phényl]-1,5-dihydro-2H-pyrrol-2-one [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: 733.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 397.6±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 171.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.86
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 58566.23
ACD/KOC (pH 5.5): 45559.79
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 1011.09
ACD/KOC (pH 7.4): 786.54
Polar Surface Area: 117 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 480.8±3.0 cm3

Click to predict properties on the Chemicalize site


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