ChemSpider 2D Image | (2E)-N-{[(3S,5S)-3-(2-Aminoethyl)-1-(3-ethylpentyl)-2-oxo-1,4-diazepan-5-yl]methyl}-3-(4-chlorophenyl)acrylamide | C24H37ClN4O2

(2E)-N-{[(3S,5S)-3-(2-Aminoethyl)-1-(3-ethylpentyl)-2-oxo-1,4-diazepan-5-yl]methyl}-3-(4-chlorophenyl)acrylamide

  • Molecular FormulaC24H37ClN4O2
  • Average mass449.029 Da
  • Monoisotopic mass448.260498 Da
  • ChemSpider ID76825072

  • 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

(2E)-N-{[(3S,5S)-3-(2-Aminoethyl)-1-(3-ethylpentyl)-2-oxo-1,4-diazepan-5-yl]methyl}-3-(4-chlorophenyl)acrylamide [ACD/IUPAC Name]
(2E)-N-{[(3S,5S)-3-(2-Aminoéthyl)-1-(3-éthylpentyl)-2-oxo-1,4-diazépan-5-yl]méthyl}-3-(4-chlorophényl)acrylamide [French] [ACD/IUPAC Name]
(2E)-N-{[(3S,5S)-3-(2-Aminoethyl)-1-(3-ethylpentyl)-2-oxo-1,4-diazepan-5-yl]methyl}-3-(4-chlorphenyl)acrylamid [German] [ACD/IUPAC Name]
2-Propenamide, N-[[(3S,5S)-3-(2-aminoethyl)-1-(3-ethylpentyl)hexahydro-2-oxo-1H-1,4-diazepin-5-yl]methyl]-3-(4-chlorophenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 667.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 128.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.05
Polar Surface Area: 87 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 410.3±3.0 cm3

Click to predict properties on the Chemicalize site


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