ChemSpider 2D Image | 2-{4-[(7-Chloro-3-methyl-1H-indol-2-yl)methyl]-1-(3-thienylmethyl)-2-piperazinyl}ethanol | C21H26ClN3OS

2-{4-[(7-Chloro-3-methyl-1H-indol-2-yl)methyl]-1-(3-thienylmethyl)-2-piperazinyl}ethanol

  • Molecular FormulaC21H26ClN3OS
  • Average mass403.969 Da
  • Monoisotopic mass403.148499 Da
  • ChemSpider ID22159573

More details:

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

2-{4-[(7-Chlor-3-methyl-1H-indol-2-yl)methyl]-1-(3-thienylmethyl)-2-piperazinyl}ethanol [German] [ACD/IUPAC Name]
2-{4-[(7-Chloro-3-methyl-1H-indol-2-yl)methyl]-1-(3-thienylmethyl)-2-piperazinyl}ethanol [ACD/IUPAC Name]
2-{4-[(7-Chloro-3-méthyl-1H-indol-2-yl)méthyl]-1-(3-thiénylméthyl)-2-pipérazinyl}éthanol [French] [ACD/IUPAC Name]
2-Piperazineethanol, 4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(3-thienylmethyl)- [ACD/Index Name]
2-[4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(3-thienylmethyl)-2-piperazinyl]ethanol
2-{4-[(7-CHLORO-3-METHYL-1H-INDOL-2-YL)METHYL]-1-(THIOPHEN-3-YLMETHYL)PIPERAZIN-2-YL}ETHANOL
2-{4-[(7-CHLORO-3-METHYL-1H-INDOL-2-YL)METHYL]-1-[(THIOPHEN-3-YL)METHYL]PIPERAZIN-2-YL}ETHAN-1-OL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 303.0±28.7 °C
Index of Refraction: 1.664
Molar Refractivity: 115.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 2.65
ACD/KOC (pH 5.5): 17.38
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 123.95
ACD/KOC (pH 7.4): 813.52
Polar Surface Area: 71 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 310.4±3.0 cm3

Click to predict properties on the Chemicalize site


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