Found 372 results

Search term: MF = 'C_{31}H_{41}N_{5}O_{5}'
ChemSpider 2D Image | (2S,5S)-11-(1,3-Dihydro-2H-isoindol-2-ylacetyl)-2-(4-methoxybenzyl)-4,5-dimethyl-1,4,7,11-tetraazacyclopentadecane-3,6,15-trione | C31H41N5O5

(2S,5S)-11-(1,3-Dihydro-2H-isoindol-2-ylacetyl)-2-(4-methoxybenzyl)-4,5-dimethyl-1,4,7,11-tetraazacyclopentadecane-3,6,15-trione

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID71348048

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5S)-11-(1,3-Dihydro-2H-isoindol-2-ylacetyl)-2-(4-methoxybenzyl)-4,5-dimethyl-1,4,7,11-tetraazacyclopentadecan-3,6,15-trion [German] [ACD/IUPAC Name]
(2S,5S)-11-(1,3-Dihydro-2H-isoindol-2-ylacetyl)-2-(4-methoxybenzyl)-4,5-dimethyl-1,4,7,11-tetraazacyclopentadecane-3,6,15-trione [ACD/IUPAC Name]
(2S,5S)-11-[2-(1,3-Dihydro-2H-isoindol-2-yl)acétyl]-2-(4-méthoxybenzyl)-4,5-diméthyl-1,4,7,11-tétraazacyclopentadécane-3,6,15-trione [French] [ACD/IUPAC Name]
1,4,7,11-Tetraazacyclopentadecane-3,6,15-trione, 11-[2-(1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-, (2S,5S)- [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: 848.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 466.7±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 29.32
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.76
ACD/KOC (pH 7.4): 120.46
Polar Surface Area: 111 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 488.9±3.0 cm3

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