ChemSpider 2D Image | Robotnikinin | C25H27ClN2O4

Robotnikinin

  • Molecular FormulaC25H27ClN2O4
  • Average mass454.946 Da
  • Monoisotopic mass454.165924 Da
  • ChemSpider ID23337252

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1132653-79-2 [RN]
1-Oxa-4-azacyclododec-8-ene-6-acetamide, N-[(4-chlorophenyl)methyl]-5,12-dioxo-2-phenyl-, (2R,6S,8E)- [ACD/Index Name]
N-(4-Chlorbenzyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamid [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phényl-1-oxa-4-azacyclododéc-8-én-6-yl]acétamide [French] [ACD/IUPAC Name]
N-[(4-chlorophenyl)methyl]-2-[(2R,6S)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
Robotnikinin
BRD-K65111630-001-02-6
CHEMBL473392
N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 770.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.6±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 223.97
ACD/KOC (pH 5.5): 1674.43
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 223.97
ACD/KOC (pH 7.4): 1674.44
Polar Surface Area: 85 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 383.1±3.0 cm3

Click to predict properties on the Chemicalize site


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