ChemSpider 2D Image | (17R)-5-Isobutoxy-15-{[3-(2-pyridinyl)-1H-pyrazol-5-yl]carbonyl}-2-oxa-9,12,15,19-tetraazatetracyclo[20.3.1.1~3,7~.0~12,17~]heptacosa-1(26),3(27),4,6,22,24-hexaene-8,11,18-trione | C35H37N7O6

(17R)-5-Isobutoxy-15-{[3-(2-pyridinyl)-1H-pyrazol-5-yl]carbonyl}-2-oxa-9,12,15,19-tetraazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(26),3(27),4,6,22,24-hexaene-8,11,18-trione

  • Molecular FormulaC35H37N7O6
  • Average mass651.712 Da
  • Monoisotopic mass651.280518 Da
  • ChemSpider ID62721774

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(17R)-5-Isobutoxy-15-{[3-(2-pyridinyl)-1H-pyrazol-5-yl]carbonyl}-2-oxa-9,12,15,19-tetraazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(26),3(27),4,6,22,24-hexaen-8,11,18-trion [German] [ACD/IUPAC Name]
(17R)-5-Isobutoxy-15-{[3-(2-pyridinyl)-1H-pyrazol-5-yl]carbonyl}-2-oxa-9,12,15,19-tetraazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(26),3(27),4,6,22,24-hexaene-8,11,18-trione [ACD/IUPAC Name]
(17R)-5-Isobutoxy-15-{[3-(2-pyridinyl)-1H-pyrazol-5-yl]carbonyl}-2-oxa-9,12,15,19-tétraazatétracyclo[20.3.1.13,7.012,17]heptacosa-1(26),3(27),4,6,22,24-hexaène-8,11,18-trione [French] [ACD/IUPAC Name]
10,14:16,20-Dimetheno-2H-pyrazino[1,2-k][1,8,11,14]oxatriazacycloheneicosine-6,9,24(21H)-trione, 1,3,4,7,8,22,23,24a-octahydro-12-(2-methylpropoxy)-2-[[3-(2-pyridinyl)-1H-pyrazol-5-yl]carbonyl]-, (24a R)- [ACD/Index Name]
(24aR)-12-isobutoxy-2-[(3-pyridin-2-yl-1H-pyrazol-5-yl)carbonyl]-1,3,4,7,8,22,23,24a-octahydro-2H-10,14:16,20-dimethenopyrazino[1,2-k][1,8,11,14]oxatriazacyclohenicosine-6,9,24(21H)-trione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1038.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.2±3.0 kJ/mol
Flash Point: 582.1±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 174.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.05
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.85
ACD/KOC (pH 5.5): 123.17
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.84
ACD/KOC (pH 7.4): 122.88
Polar Surface Area: 159 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 465.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement