ChemSpider 2D Image | (11R)-11-Isopropyl-20-methoxy-15-[2-(1H-pyrazol-1-ylmethyl)benzyl]-18-oxa-3,6,9,12,15-pentaazatricyclo[17.3.1.0~2,6~]tricosa-1(23),2,4,19,21-pentaene-10,13-dione | C32H39N7O4

(11R)-11-Isopropyl-20-methoxy-15-[2-(1H-pyrazol-1-ylmethyl)benzyl]-18-oxa-3,6,9,12,15-pentaazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID71348140
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(11R)-11-Isopropyl-20-methoxy-15-[2-(1H-pyrazol-1-ylmethyl)benzyl]-18-oxa-3,6,9,12,15-pentaazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-10,13-dion [German] [ACD/IUPAC Name]
(11R)-11-Isopropyl-20-methoxy-15-[2-(1H-pyrazol-1-ylmethyl)benzyl]-18-oxa-3,6,9,12,15-pentaazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione [ACD/IUPAC Name]
(11R)-11-Isopropyl-20-méthoxy-15-[2-(1H-pyrazol-1-ylméthyl)benzyl]-18-oxa-3,6,9,12,15-pentaazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaène-10,13-dione [French] [ACD/IUPAC Name]
21,17-Metheno-5H,17H-imidazo[1,2-m][1,4,7,10,13]oxatetraazacyclononadecine-8,11-dione, 6,7,9,10,12,13,14,15-octahydro-18-methoxy-9-(1-methylethyl)-13-[[2-(1H-pyrazol-1-ylmethyl)phenyl]methyl]-, (9R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 165.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 4.06
ACD/KOC (pH 5.5): 55.71
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.03
ACD/KOC (pH 7.4): 343.71
Polar Surface Area: 116 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 460.3±7.0 cm3

Click to predict properties on the Chemicalize site






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