ChemSpider 2D Image | (2S,5S)-2-(4-Methoxybenzyl)-4,5-dimethyl-11-{[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl}-1,4,7,11-tetraazacyclopentadecane-3,6,15-trione | C32H41N5O4S

(2S,5S)-2-(4-Methoxybenzyl)-4,5-dimethyl-11-{[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl}-1,4,7,11-tetraazacyclopentadecane-3,6,15-trione

  • Molecular FormulaC32H41N5O4S
  • Average mass591.764 Da
  • Monoisotopic mass591.287903 Da
  • ChemSpider ID71347509

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5S)-2-(4-Methoxybenzyl)-4,5-dimethyl-11-{[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl}-1,4,7,11-tetraazacyclopentadecan-3,6,15-trion [German] [ACD/IUPAC Name]
(2S,5S)-2-(4-Methoxybenzyl)-4,5-dimethyl-11-{[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl}-1,4,7,11-tetraazacyclopentadecane-3,6,15-trione [ACD/IUPAC Name]
(2S,5S)-2-(4-Méthoxybenzyl)-4,5-diméthyl-11-{[2-(2-méthylphényl)-1,3-thiazol-5-yl]méthyl}-1,4,7,11-tétraazacyclopentadécane-3,6,15-trione [French] [ACD/IUPAC Name]
1,4,7,11-Tetraazacyclopentadecane-3,6,15-trione, 2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-11-[[2-(2-methylphenyl)-5-thiazolyl]methyl]-, (2S,5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.555
Molar Refractivity: 165.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.93
ACD/KOC (pH 5.5): 28.55
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 63.98
ACD/KOC (pH 7.4): 623.95
Polar Surface Area: 132 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 514.6±3.0 cm3

Click to predict properties on the Chemicalize site


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