ChemSpider 2D Image | (2S,6R,9S,15S)-9-Benzyl-13-(cyclopropylmethyl)-15-(1H-imidazol-5-ylmethyl)-4-methyl-19-oxa-4,7,10,13,16-pentaazatricyclo[18.3.1.0~2,6~]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone | C34H41N7O5

(2S,6R,9S,15S)-9-Benzyl-13-(cyclopropylmethyl)-15-(1H-imidazol-5-ylmethyl)-4-methyl-19-oxa-4,7,10,13,16-pentaazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

  • Molecular FormulaC34H41N7O5
  • Average mass627.733 Da
  • Monoisotopic mass627.316895 Da
  • ChemSpider ID71342940

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,6R,9S,15S)-9-Benzyl-13-(cyclopropylmethyl)-15-(1H-imidazol-5-ylmethyl)-4-methyl-19-oxa-4,7,10,13,16-pentaazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-trien-8,11,14,17-tetron [German] [ACD/IUPAC Name]
(2S,6R,9S,15S)-9-Benzyl-13-(cyclopropylmethyl)-15-(1H-imidazol-5-ylmethyl)-4-methyl-19-oxa-4,7,10,13,16-pentaazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone [ACD/IUPAC Name]
(2S,6R,9S,15S)-9-Benzyl-13-(cyclopropylméthyl)-15-(1H-imidazol-5-ylméthyl)-4-méthyl-19-oxa-4,7,10,13,16-pentaazatricyclo[18.3.1.02,6]tétracosa-1(24),20,22-triène-8,11,14,17-tétrone [French] [ACD/IUPAC Name]
2H-18,14-Methenopyrrolo[3,4-n][1,4,7,10,13]oxatetraazacycloeicosine-2,5,8,11(12H)-tetrone, 7-(cyclopropylmethyl)-1,3,4,6,7,9,10,18a,19,20,21,21a-dodecahydro-9-(1H-imidazol-5-ylmethyl)-20-methyl-3-(phe nylmethyl)-, (3S,9S,18aS,21aR)- [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: 1021.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 571.3±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 507.9±3.0 cm3

Click to predict properties on the Chemicalize site


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