Found 11 results

Search term: MF = 'C_{35}H_{41}Cl_{3}N_{2}O_{4}'
ChemSpider 2D Image | N-[(4'-{(2R,4R,5S,6S)-4-(1-Azocanylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}-3-biphenylyl)methyl]-2,2,2-trichloroacetamide | C35H41Cl3N2O4

N-[(4'-{(2R,4R,5S,6S)-4-(1-Azocanylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}-3-biphenylyl)methyl]-2,2,2-trichloroacetamide

  • Molecular FormulaC35H41Cl3N2O4
  • Average mass660.070 Da
  • Monoisotopic mass658.213196 Da
  • ChemSpider ID5120620

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Acetamide, 2,2,2-trichloro-N-[[4'-[(2R,4R,5S,6S)-4-[(hexahydro-1(2H)-azocinyl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]methyl]- [ACD/Index Name]
N-[(4'-{(2R,4R,5S,6S)-4-(1-Azocanylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}-3-biphenylyl)methyl]-2,2,2-trichloracetamid [German] [ACD/IUPAC Name]
N-[(4'-{(2R,4R,5S,6S)-4-(1-Azocanylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}-3-biphenylyl)methyl]-2,2,2-trichloroacetamide [ACD/IUPAC Name]
N-[(4'-{(2R,4R,5S,6S)-4-(1-Azocanylméthyl)-6-[4-(hydroxyméthyl)phényl]-5-méthyl-1,3-dioxan-2-yl}-3-biphénylyl)méthyl]-2,2,2-trichloroacétamide [French] [ACD/IUPAC Name]

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

DIOX2_006949 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 773.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 421.5±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 177.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.22
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 368.73
ACD/KOC (pH 5.5): 367.05
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 11943.83
ACD/KOC (pH 7.4): 11889.25
Polar Surface Area: 71 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 532.1±3.0 cm3

Click to predict properties on the Chemicalize site


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