ChemSpider 2D Image | MK-8141 | C35H39Cl2N3O3

MK-8141

  • Molecular FormulaC35H39Cl2N3O3
  • Average mass620.609 Da
  • Monoisotopic mass619.236877 Da
  • ChemSpider ID9752894

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-N-Cyclopropyl-7-{4-[2-(2,6-dichlor-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-en-6-carboxamid [German] [ACD/IUPAC Name]
(1R,5S)-N-Cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide [ACD/IUPAC Name]
(1R,5S)-N-Cyclopropyl-7-{4-[2-(2,6-dichloro-4-méthylphénoxy)éthoxy]phényl}-N-(2,3-diméthylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ène-6-carboxamide [French] [ACD/IUPAC Name]
3,9-Diazabicyclo[3.3.1]non-6-ene-6-carboxamide, N-cyclopropyl-7-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[(2,3-dimethylphenyl)methyl]-, (1R,5S)- [ACD/Index Name]
903579-36-2 [RN]
DYO3SU8O2M
MK-8141
(1R,5S)-N-cyclopropyl-7-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[(2,3-dimethylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
(1R,5S)-N-CYCLOPROPYL-7-[4-[2-(2,6-DICHLORO-4-METHYLPHENOXY)ETHOXY]PHENYL]-N-[(2,3-DIMETHYLPHENYL)METHYL]-3,9-DIAZABICYCLO-[3.3.1]-NON-6-ENE-6-CARBOXAMIDE
A7T
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 803.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 439.5±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 172.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.53
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 334.06
ACD/KOC (pH 5.5): 350.08
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 11872.69
ACD/KOC (pH 7.4): 12441.90
Polar Surface Area: 63 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 473.3±5.0 cm3

Click to predict properties on the Chemicalize site


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