Found 20 results

Search term: MF = 'C_{34}H_{44}N_{8}O_{3}'
ChemSpider 2D Image | (15aS,18S)-18-Methyl-7-{[4-(3-methylphenyl)-1-piperazinyl]acetyl}-2-phenyl-5,6,7,8,9,10,13,14,15,15a,17,18-dodecahydro-11H,16H-pyrrolo[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tetraazacyclotetradecine-11 ,16-dione | C34H44N8O3

(15aS,18S)-18-Methyl-7-{[4-(3-methylphenyl)-1-piperazinyl]acetyl}-2-phenyl-5,6,7,8,9,10,13,14,15,15a,17,18-dodecahydro-11H,16H-pyrrolo[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tetraazacyclotetradecine-11 ,16-dione

  • Molecular FormulaC34H44N8O3
  • Average mass612.765 Da
  • Monoisotopic mass612.353638 Da
  • ChemSpider ID123958033

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(15aS,18S)-18-Methyl-7-{[4-(3-methylphenyl)-1-piperazinyl]acetyl}-2-phenyl-5,6,7,8,9,10,13,14,15,15a,17,18-dodecahydro-11H,16H-pyrrolo[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tetraazacyclotetradecin-11, 16-dion [German] [ACD/IUPAC Name]
(15aS,18S)-18-Methyl-7-{[4-(3-methylphenyl)-1-piperazinyl]acetyl}-2-phenyl-5,6,7,8,9,10,13,14,15,15a,17,18-dodecahydro-11H,16H-pyrrolo[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tetraazacyclotetradecine-11 ,16-dione [ACD/IUPAC Name]
(15aS,18S)-18-Méthyl-7-{2-[4-(3-méthylphényl)-1-pipérazinyl]acétyl}-2-phényl-5,6,7,8,9,10,13,14,15,15a,17,18-dodécahydro-11H,16H-pyrrolo[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tétraazacyclotétradécine- 11,16-dione [French] [ACD/IUPAC Name]
11H,16H-Pyrrolo[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tetraazacyclotetradecine-11,16-dione, 5,6,7,8,9,10,13,14,15,15a,17,18-dodecahydro-18-methyl-7-[2-[4-(3-methylphenyl)-1-piperazinyl]acetyl]-2-pheny l-, (15aS,18S)- [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: 1.675
Molar Refractivity: 175.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 48.96
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.65
ACD/KOC (pH 7.4): 287.94
Polar Surface Area: 107 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 465.9±7.0 cm3

Click to predict properties on the Chemicalize site


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