ChemSpider 2D Image | 16-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-6,7,8-trimethoxy-13-[(3-methyl-1,2-oxazol-5-yl)acetyl]-1,3,13,16,20-pentaazatetracyclo[20.3.1.0~2,11~.0~4,9~]hexacosa-2,4(9),5,7,10-pentaen-19-one | C36H45N7O8

16-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-6,7,8-trimethoxy-13-[(3-methyl-1,2-oxazol-5-yl)acetyl]-1,3,13,16,20-pentaazatetracyclo[20.3.1.02,11.04,9]hexacosa-2,4(9),5,7,10-pentaen-19-one

  • Molecular FormulaC36H45N7O8
  • Average mass703.785 Da
  • Monoisotopic mass703.332947 Da
  • ChemSpider ID107748986

More details:

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

1,5-Methano-1H-[1,4,8,14]tetraazacycloheptadecino[7,6-b]quinolin-8(9H)-one, 11-[(2,4-dimethyl-5-oxazolyl)carbonyl]-2,3,4,5,6,7,10,11,12,13,14,15-dodecahydro-17,18,19-trimethoxy-14-[2-(3-methyl-5-isoxa zolyl)acetyl]- [ACD/Index Name]
16-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-6,7,8-trimethoxy-13-[(3-methyl-1,2-oxazol-5-yl)acetyl]-1,3,13,16,20-pentaazatetracyclo[20.3.1.02,11.04,9]hexacosa-2,4(9),5,7,10-pentaen-19-on [German] [ACD/IUPAC Name]
16-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-6,7,8-trimethoxy-13-[(3-methyl-1,2-oxazol-5-yl)acetyl]-1,3,13,16,20-pentaazatetracyclo[20.3.1.02,11.04,9]hexacosa-2,4(9),5,7,10-pentaen-19-one [ACD/IUPAC Name]
16-[(2,4-Diméthyl-1,3-oxazol-5-yl)carbonyl]-6,7,8-triméthoxy-13-[2-(3-méthyl-1,2-oxazol-5-yl)acétyl]-1,3,13,16,20-pentaazatétracyclo[20.3.1.02,11.04,9]hexacosa-2,4(9),5,7,10-pentaén-19-one [French] [ACD/IUPAC 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: 958.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 533.5±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 186.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.32
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 78.49
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.87
ACD/KOC (pH 7.4): 151.83
Polar Surface Area: 166 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 519.6±5.0 cm3

Click to predict properties on the Chemicalize site


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