ChemSpider 2D Image | N-{2-[Benzyl(2-thienylmethyl)amino]-2-oxoethyl}-4-chloro-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide | C27H29ClN4O5S

N-{2-[Benzyl(2-thienylmethyl)amino]-2-oxoethyl}-4-chloro-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide

  • Molecular FormulaC27H29ClN4O5S
  • Average mass557.061 Da
  • Monoisotopic mass556.154724 Da
  • ChemSpider ID3249043

More details:

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

Benzamide, 4-chloro-N-[2-(4-morpholinyl)ethyl]-3-nitro-N-[2-oxo-2-[(phenylmethyl)(2-thienylmethyl)amino]ethyl]- [ACD/Index Name]
N-{2-[Benzyl(2-thienylmethyl)amino]-2-oxoethyl}-4-chlor-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamid [German] [ACD/IUPAC Name]
N-{2-[Benzyl(2-thienylmethyl)amino]-2-oxoethyl}-4-chloro-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide [ACD/IUPAC Name]
N-{2-[Benzyl(2-thiénylméthyl)amino]-2-oxoéthyl}-4-chloro-N-[2-(4-morpholinyl)éthyl]-3-nitrobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 761.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.6±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 46.26
ACD/KOC (pH 5.5): 326.11
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 259.26
ACD/KOC (pH 7.4): 1827.50
Polar Surface Area: 127 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 414.4±3.0 cm3

Click to predict properties on the Chemicalize site


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