Found 600 results

Search term: MF = 'C_{32}H_{36}N_{4}O'
ChemSpider 2D Image | {2-(3,5-Dimethylphenyl)-3-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridin-5-yl}(phenyl)methanone | C32H36N4O

{2-(3,5-Dimethylphenyl)-3-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridin-5-yl}(phenyl)methanone

  • Molecular FormulaC32H36N4O
  • Average mass492.654 Da
  • Monoisotopic mass492.288910 Da
  • ChemSpider ID23294918

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{2-(3,5-Dimethylphenyl)-3-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridin-5-yl}(phenyl)methanon [German] [ACD/IUPAC Name]
{2-(3,5-Dimethylphenyl)-3-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridin-5-yl}(phenyl)methanone [ACD/IUPAC Name]
{2-(3,5-Diméthylphényl)-3-[(2S)-1-{[2-(4-pyridinyl)éthyl]amino}-2-propanyl]-1,4,6,7-tétrahydro-5H-pyrrolo[3,2-c]pyridin-5-yl}(phényl)méthanone [French] [ACD/IUPAC Name]
{2-(3,5-dimethylphenyl)-3-[(2S)-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]-1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridin-5-yl}(phenyl)methanone
Methanone, [2-(3,5-dimethylphenyl)-1,4,6,7-tetrahydro-3-[(1S)-1-methyl-2-[[2-(4-pyridinyl)ethyl]amino]ethyl]-5H-pyrrolo[3,2-c]pyridin-5-yl]phenyl- [ACD/Index Name]
(S)-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)ethylamino)propan-2-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)(phenyl)methanone
CHEMBL401225

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 722.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.5±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 4.40
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 12.82
ACD/KOC (pH 7.4): 48.46
Polar Surface Area: 61 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 426.3±3.0 cm3

Click to predict properties on the Chemicalize site


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