ChemSpider 2D Image | (11R)-11-Isopropyl-20-methoxy-15-[4-methoxy-3-(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 | C33H41N7O5

(11R)-11-Isopropyl-20-methoxy-15-[4-methoxy-3-(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 FormulaC33H41N7O5
  • Average mass615.722 Da
  • Monoisotopic mass615.316895 Da
  • ChemSpider ID71340674

  • 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-[4-methoxy-3-(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-[4-methoxy-3-(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-[4-méthoxy-3-(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-13-[[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]methyl]-9-(1-methylethyl )-, (9R)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 171.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 32.19
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 12.95
ACD/KOC (pH 7.4): 214.36
Polar Surface Area: 125 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 481.9±7.0 cm3

Click to predict properties on the Chemicalize site


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