ChemSpider 2D Image | (2S,6R)-4-[(4,6-Dimethyl-5-pyrimidinyl)carbonyl]-12-(1H-indol-1-ylacetyl)-17-methoxy-15-oxa-4,8,12-triazatricyclo[14.3.1.0~2,6~]icosa-1(20),16,18-trien-7-one | C34H38N6O5

(2S,6R)-4-[(4,6-Dimethyl-5-pyrimidinyl)carbonyl]-12-(1H-indol-1-ylacetyl)-17-methoxy-15-oxa-4,8,12-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-7-one

  • Molecular FormulaC34H38N6O5
  • Average mass610.703 Da
  • Monoisotopic mass610.290344 Da
  • ChemSpider ID107753831

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6R)-4-[(4,6-Dimethyl-5-pyrimidinyl)carbonyl]-12-(1H-indol-1-ylacetyl)-17-methoxy-15-oxa-4,8,12-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-7-on [German] [ACD/IUPAC Name]
(2S,6R)-4-[(4,6-Dimethyl-5-pyrimidinyl)carbonyl]-12-(1H-indol-1-ylacetyl)-17-methoxy-15-oxa-4,8,12-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-7-one [ACD/IUPAC Name]
(2S,6R)-4-[(4,6-Diméthyl-5-pyrimidinyl)carbonyl]-12-[2-(1H-indol-1-yl)acétyl]-17-méthoxy-15-oxa-4,8,12-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][1,4,8]oxadiazacyclohexadecin-4(5H)-one, 2-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-2,3,3a,6,7,8,9,10,11,17a-decahydro-9-[2-(1H-indol-1-yl)acetyl]-14-methoxy-, (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: 902.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 499.6±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 169.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.16
ACD/KOC (pH 5.5): 444.89
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.17
ACD/KOC (pH 7.4): 445.00
Polar Surface Area: 119 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 456.4±7.0 cm3

Click to predict properties on the Chemicalize site


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