ChemSpider 2D Image | (11R)-11-Isobutyl-15-{3-[5-(2-thienyl)-2-furyl]propanoyl}-19-oxa-3,6,9,12,15-pentaazatricyclo[18.3.1.0~2,6~]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione | C33H39N5O5S

(11R)-11-Isobutyl-15-{3-[5-(2-thienyl)-2-furyl]propanoyl}-19-oxa-3,6,9,12,15-pentaazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

  • Molecular FormulaC33H39N5O5S
  • Average mass617.758 Da
  • Monoisotopic mass617.267212 Da
  • ChemSpider ID114824062

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11R)-11-Isobutyl-15-{3-[5-(2-thienyl)-2-furyl]propanoyl}-19-oxa-3,6,9,12,15-pentaazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaen-10,13-dion [German] [ACD/IUPAC Name]
(11R)-11-Isobutyl-15-{3-[5-(2-thienyl)-2-furyl]propanoyl}-19-oxa-3,6,9,12,15-pentaazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione [ACD/IUPAC Name]
(11R)-11-Isobutyl-15-{3-[5-(2-thiényl)-2-furyl]propanoyl}-19-oxa-3,6,9,12,15-pentaazatricyclo[18.3.1.02,6]tétracosa-1(24),2,4,20,22-pentaène-10,13-dione [French] [ACD/IUPAC Name]
22,18-Metheno-18H-imidazo[1,2-n][1,5,8,11,14]oxatetraazacycloeicosine-8,11(5H,12H)-dione, 6,7,9,10,13,14,15,16-octahydro-9-(2-methylpropyl)-13-[1-oxo-3-[5-(2-thienyl)-2-furanyl]propyl]-, (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: 1.645
Molar Refractivity: 171.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 64.95
ACD/KOC (pH 5.5): 449.79
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 280.67
ACD/KOC (pH 7.4): 1943.69
Polar Surface Area: 147 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 473.5±7.0 cm3

Click to predict properties on the Chemicalize site


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