ChemSpider 2D Image | 13-{[5-(2-Hydroxyphenyl)-1H-pyrazol-3-yl]carbonyl}-3,4-dimethoxy-21-oxa-10,13,17-triazatetracyclo[16.6.2.1~2,6~.0~22,26~]heptacosa-1(24),2(27),3,5,22,25-hexaene-9,16-dione | C35H37N5O7

13-{[5-(2-Hydroxyphenyl)-1H-pyrazol-3-yl]carbonyl}-3,4-dimethoxy-21-oxa-10,13,17-triazatetracyclo[16.6.2.12,6.022,26]heptacosa-1(24),2(27),3,5,22,25-hexaene-9,16-dione

  • Molecular FormulaC35H37N5O7
  • Average mass639.698 Da
  • Monoisotopic mass639.269287 Da
  • ChemSpider ID103853067

More details:

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

13-{[5-(2-Hydroxyphenyl)-1H-pyrazol-3-yl]carbonyl}-3,4-dimethoxy-21-oxa-10,13,17-triazatetracyclo[16.6.2.12,6.022,26]heptacosa-1(24),2(27),3,5,22,25-hexaen-9,16-dion [German] [ACD/IUPAC Name]
13-{[5-(2-Hydroxyphenyl)-1H-pyrazol-3-yl]carbonyl}-3,4-dimethoxy-21-oxa-10,13,17-triazatetracyclo[16.6.2.12,6.022,26]heptacosa-1(24),2(27),3,5,22,25-hexaene-9,16-dione [ACD/IUPAC Name]
13-{[5-(2-Hydroxyphényl)-1H-pyrazol-3-yl]carbonyl}-3,4-diméthoxy-21-oxa-10,13,17-triazatétracyclo[16.6.2.12,6.022,26]heptacosa-1(24),2(27),3,5,22,25-hexaène-9,16-dione [French] [ACD/IUPAC Name]
17,19-Ethanediylidene-12,16-metheno-16H-pyrano[4,3-i][1,4,8]triazacycloeicosine-2,9-dione, 1,3,4,5,6,7,8,10,11,21,22,22a-dodecahydro-5-[[5-(2-hydroxyphenyl)-1H-pyrazol-3-yl]carbonyl]-14,15-dimethoxy- [ACD/Index 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: 1000.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.0±3.0 kJ/mol
Flash Point: 558.9±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 172.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.38
ACD/KOC (pH 5.5): 198.34
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.28
ACD/KOC (pH 7.4): 196.54
Polar Surface Area: 155 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 502.6±3.0 cm3

Click to predict properties on the Chemicalize site


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