ChemSpider 2D Image | (2S,6R)-11-(1H-Indol-3-ylacetyl)-4-[(6-methoxy-3-pyridinyl)carbonyl]-15-oxa-4,8,11-triazatricyclo[14.3.1.0~2,6~]icosa-1(20),16,18-trien-7-one | C33H35N5O5

(2S,6R)-11-(1H-Indol-3-ylacetyl)-4-[(6-methoxy-3-pyridinyl)carbonyl]-15-oxa-4,8,11-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-7-one

  • Molecular FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID107753777

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6R)-11-(1H-Indol-3-ylacetyl)-4-[(6-methoxy-3-pyridinyl)carbonyl]-15-oxa-4,8,11-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-7-on [German] [ACD/IUPAC Name]
(2S,6R)-11-(1H-Indol-3-ylacetyl)-4-[(6-methoxy-3-pyridinyl)carbonyl]-15-oxa-4,8,11-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-7-one [ACD/IUPAC Name]
(2S,6R)-11-[2-(1H-Indol-3-yl)acétyl]-4-[(6-méthoxy-3-pyridinyl)carbonyl]-15-oxa-4,8,11-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trién-7-one [French] [ACD/IUPAC Name]
1H-17,13-Methenopyrrolo[3,4-j][1,5,8]oxadiazacyclohexadecin-4(5H)-one, 2,3,3a,6,7,8,9,10,11,17a-decahydro-8-[2-(1H-indol-3-yl)acetyl]-2-[(6-methoxy-3-pyridinyl)carbonyl]-, (3aR,17aS)- [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: 898.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 497.3±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 161.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.78
ACD/KOC (pH 5.5): 849.31
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.84
ACD/KOC (pH 7.4): 849.85
Polar Surface Area: 117 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 459.0±3.0 cm3

Click to predict properties on the Chemicalize site


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