ChemSpider 2D Image | 6-[(3R,5S)-3,5-Dimethyl-1-piperazinyl]-5-methoxy-1-{[5-(2-pyridinyl)-2-thienyl]sulfonyl}indoline | C24H28N4O3S2

6-[(3R,5S)-3,5-Dimethyl-1-piperazinyl]-5-methoxy-1-{[5-(2-pyridinyl)-2-thienyl]sulfonyl}indoline

  • Molecular FormulaC24H28N4O3S2
  • Average mass484.634 Da
  • Monoisotopic mass484.160278 Da
  • ChemSpider ID23309359

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole, 6-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-2,3-dihydro-5-methoxy-1-[[5-(2-pyridinyl)-2-thienyl]sulfonyl]- [ACD/Index Name]
6-[(3R,5S)-3,5-Dimethyl-1-piperazinyl]-5-methoxy-1-{[5-(2-pyridinyl)-2-thienyl]sulfonyl}indolin [German] [ACD/IUPAC Name]
6-[(3R,5S)-3,5-Dimethyl-1-piperazinyl]-5-methoxy-1-{[5-(2-pyridinyl)-2-thienyl]sulfonyl}indoline [ACD/IUPAC Name]
6-[(3R,5S)-3,5-Diméthyl-1-pipérazinyl]-5-méthoxy-1-{[5-(2-pyridinyl)-2-thiényl]sulfonyl}indoline [French] [ACD/IUPAC Name]
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methoxy-1-{[5-(pyridin-2-yl)thiophen-2-yl]sulfonyl}-2,3-dihydro-1H-indole
6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-5-methoxy-1-(5-(pyridin-2-yl)thiophen-2-ylsulfonyl)indoline
SB-791016-A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 711.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.9±35.7 °C
Index of Refraction: 1.615
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 4.51
ACD/KOC (pH 7.4): 41.52
Polar Surface Area: 111 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 377.1±3.0 cm3

Click to predict properties on the Chemicalize site


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