ChemSpider 2D Image | (11R)-11-Isopropyl-20-methoxy-15-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-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-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-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 ID71341544
  • 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-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-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-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-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-[(1-méthyl-3-phényl-1H-pyrazol-4-yl)méthyl]-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]
17,21-Metheno-5H,21H-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-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)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: 1.638
Molar Refractivity: 165.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 4.58
ACD/KOC (pH 5.5): 63.68
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.95
ACD/KOC (pH 7.4): 333.38
Polar Surface Area: 116 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 459.4±7.0 cm3

Click to predict properties on the Chemicalize site






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