Found 99 results

Search term: MF = 'C_{34}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | Methyl (1S,4R,5R,9R,10R,12R,13S,14R,21S)-23-isopropyl-5,9-dimethyl-16-phenyl-22-oxa-16,17-diazaheptacyclo[12.10.0.0~1,10~.0~4,9~.0~12,23~.0~13,21~.0~15,19~]tetracosa-15(19),17-diene-5-carboxylate | C34H44N2O3

Methyl (1S,4R,5R,9R,10R,12R,13S,14R,21S)-23-isopropyl-5,9-dimethyl-16-phenyl-22-oxa-16,17-diazaheptacyclo[12.10.0.01,10.04,9.012,23.013,21.015,19]tetracosa-15(19),17-diene-5-carboxylate

  • Molecular FormulaC34H44N2O3
  • Average mass528.725 Da
  • Monoisotopic mass528.335205 Da
  • ChemSpider ID58121806

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1S,4R,5R,9R,10R,12R,13S,14R,21S)-23-Isopropyl-5,9-diméthyl-16-phényl-22-oxa-16,17-diazaheptacyclo[12.10.0.01,10.04,9.012,23.013,21.015,19]tétracosa-15(19),17-diène-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
6H-6,11c-Methanonaphth[1',2':5,6]isobenzofuro[1,7-fg]indazole-1-carboxylic acid, 1,2,3,4,4a,4b,5,5a,7a,7b,8,11,11b,12,13,13a-hexadecahydro-1,4a-dimethyl-6-(1-methylethyl)-11-phenyl-, methyl ester, (1R ,4aR,4bR,5aR,7aS,7bS,11bR,11cS,13aR)- [ACD/Index Name]
Methyl (1S,4R,5R,9R,10R,12R,13S,14R,21S)-23-isopropyl-5,9-dimethyl-16-phenyl-22-oxa-16,17-diazaheptacyclo[12.10.0.01,10.04,9.012,23.013,21.015,19]tetracosa-15(19),17-diene-5-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4R,5R,9R,10R,12R,13S,14R,21S)-23-isopropyl-5,9-dimethyl-16-phenyl-22-oxa-16,17-diazaheptacyclo[12.10.0.01,10.04,9.012,23.013,21.015,19]tetracosa-15(19),17-dien-5-carboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3343614/

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: 1.691
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 7.65
ACD/BCF (pH 5.5): 383175.63
ACD/KOC (pH 5.5): 345272.69
ACD/LogD (pH 7.4): 7.65
ACD/BCF (pH 7.4): 383196.22
ACD/KOC (pH 7.4): 345291.28
Polar Surface Area: 53 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 393.9±7.0 cm3

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