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Search term: OCKMJWOFMCSMEX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{4-[(1H-Benzotriazol-1-ylacetyl)(3-thienylmethyl)amino]phenyl}cyclopropanecarboxamide | C23H21N5O2S

N-{4-[(1H-Benzotriazol-1-ylacetyl)(3-thienylmethyl)amino]phenyl}cyclopropanecarboxamide

  • Molecular FormulaC23H21N5O2S
  • Average mass431.510 Da
  • Monoisotopic mass431.141602 Da
  • ChemSpider ID30840805

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[4-[(cyclopropylcarbonyl)amino]phenyl]-N-(3-thienylmethyl)- [ACD/Index Name]
N-(4-{[2-(1H-Benzotriazol-1-yl)acétyl](3-thiénylméthyl)amino}phényl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
N-{4-[(1H-Benzotriazol-1-ylacetyl)(3-thienylmethyl)amino]phenyl}cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-{4-[(1H-Benzotriazol-1-ylacetyl)(3-thienylmethyl)amino]phenyl}cyclopropanecarboxamide [ACD/IUPAC Name]
ML300

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.2±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 122.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.96
ACD/KOC (pH 5.5): 986.56
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.98
ACD/KOC (pH 7.4): 986.68
Polar Surface Area: 108 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 304.8±7.0 cm3

Click to predict properties on the Chemicalize site


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