ChemSpider 2D Image | N-[(1R,5S,21S,24R)-7-Cyclohexyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.0~5,10~.0~12,17~]pentacosa-12,14,16-trien-24-yl]acetamide | C28H40N4O5

N-[(1R,5S,21S,24R)-7-Cyclohexyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide

  • Molecular FormulaC28H40N4O5
  • Average mass512.641 Da
  • Monoisotopic mass512.299866 Da
  • ChemSpider ID65259777

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Acetamide, N-[(14S,17R,18R,21aS)-2-cyclohexyl-1,3,4,12,13,14,15,16,17,18,19,20,21,21a-tetradecahydro-6,21-dioxo-14,18-epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclohexadecin-17-yl]- [ACD/Index Name]
N-[(1R,5S,21S,24R)-7-Cyclohexyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamid [German] [ACD/IUPAC Name]
N-[(1R,5S,21S,24R)-7-Cyclohexyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide [ACD/IUPAC Name]
N-[(1R,5S,21S,24R)-7-Cyclohexyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trién-24-yl]acétamide [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: 793.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.5±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.36
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.00
ACD/KOC (pH 7.4): 79.63
Polar Surface Area: 100 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 406.3±5.0 cm3

Click to predict properties on the Chemicalize site


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