ChemSpider 2D Image | (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-methoxy-6-quinolinyl}-4-(1,4,7-trioxa-10-azacyclododecan-10-yl)-2-butenamide | C29H31ClFN5O5

(2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-methoxy-6-quinolinyl}-4-(1,4,7-trioxa-10-azacyclododecan-10-yl)-2-butenamide

  • Molecular FormulaC29H31ClFN5O5
  • Average mass584.038 Da
  • Monoisotopic mass583.199768 Da
  • ChemSpider ID9709183

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-{4-[(3-Chlor-4-fluorphenyl)amino]-3-cyan-7-methoxy-6-chinolinyl}-4-(1,4,7-trioxa-10-azacyclododecan-10-yl)-2-butenamid [German] [ACD/IUPAC Name]
(2E)-N-{4-[(3-Chloro-4-fluorophényl)amino]-3-cyano-7-méthoxy-6-quinoléinyl}-4-(1,4,7-trioxa-10-azacyclododécan-10-yl)-2-buténamide [French] [ACD/IUPAC Name]
(2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-methoxy-6-quinolinyl}-4-(1,4,7-trioxa-10-azacyclododecan-10-yl)-2-butenamide [ACD/IUPAC Name]
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-methoxy-6-quinolinyl]-4-(1,4,7-trioxa-10-azacyclododec-10-yl)-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 777.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.8±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 94.89
ACD/KOC (pH 5.5): 597.89
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 392.61
ACD/KOC (pH 7.4): 2473.81
Polar Surface Area: 118 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 427.8±5.0 cm3

Click to predict properties on the Chemicalize site


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