Found 43 results

Search term: MF = 'C_{36}H_{42}N_{6}O_{5}'
ChemSpider 2D Image | (15S)-15-Benzyl-10-[(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-2,5,10,13,16,19-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione | C36H42N6O5

(15S)-15-Benzyl-10-[(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-2,5,10,13,16,19-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione

  • Molecular FormulaC36H42N6O5
  • Average mass638.756 Da
  • Monoisotopic mass638.321655 Da
  • ChemSpider ID97094657

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(15S)-15-Benzyl-10-[(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-2,5,10,13,16,19-hexaazabicyclo[16.3.1]docosa-1(22),18,20-trien-6,14,17-trion [German] [ACD/IUPAC Name]
(15S)-15-Benzyl-10-[(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-2,5,10,13,16,19-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione [ACD/IUPAC Name]
(15S)-15-Benzyl-10-[2-(4,6,7-triméthyl-1-benzofuran-3-yl)acétyl]-2,5,10,13,16,19-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triène-6,14,17-trione [French] [ACD/IUPAC Name]
2,5,10,13,16,19-Hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione, 15-(phenylmethyl)-10-[2-(4,6,7-trimethyl-3-benzofuranyl)acetyl]-, (15S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1010.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.8±3.0 kJ/mol
Flash Point: 565.0±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 178.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 71.77
ACD/KOC (pH 5.5): 720.21
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.23
ACD/KOC (pH 7.4): 795.05
Polar Surface Area: 146 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 543.0±3.0 cm3

Click to predict properties on the Chemicalize site


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