ChemSpider 2D Image | 4-(3-(4-((4-cyanomethoxyphenyl)phenylmethyl)-1-piperazinyl)-2-hydroxypropoxy)-1h-indole-2-carbonitrile | C31H31N5O3

4-(3-(4-((4-cyanomethoxyphenyl)phenylmethyl)-1-piperazinyl)-2-hydroxypropoxy)-1h-indole-2-carbonitrile

  • Molecular FormulaC31H31N5O3
  • Average mass521.609 Da
  • Monoisotopic mass521.242676 Da
  • ChemSpider ID169611

More details:

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

1H-Indole-2-carbonitrile, 4-[3-[4-[[4-(cyanomethoxy)phenyl]phenylmethyl]-1-piperazinyl]-2-hydroxypropoxy]- [ACD/Index Name]
4-(3-(4-((4-cyanomethoxyphenyl)phenylmethyl)-1-piperazinyl)-2-hydroxypropoxy)-1h-indole-2-carbonitrile
4-[3-(4-{[4-(Cyanmethoxy)phenyl](phenyl)methyl}-1-piperazinyl)-2-hydroxypropoxy]-1H-indol-2-carbonitril [German] [ACD/IUPAC Name]
4-[3-(4-{[4-(Cyanomethoxy)phenyl](phenyl)methyl}-1-piperazinyl)-2-hydroxypropoxy]-1H-indole-2-carbonitrile [ACD/IUPAC Name]
4-[3-(4-{[4-(Cyanométhoxy)phényl](phényl)méthyl}-1-pipérazinyl)-2-hydroxypropoxy]-1H-indole-2-carbonitrile [French] [ACD/IUPAC Name]
130320-49-9 [RN]
15173-30-5 [RN]
1H-INDOLE-2-CARBONITRILE,4-[3-[4-[[4-(CYANOMETHOXY)PHENYL]PHENYLMETHYL]-1-PIPERAZINYL]-2-HYDROXYPROPOXY]-
4-[3-[4-[[4-(Cyanomethoxy)phenyl]-phenylmethyl]piperazin-1-yl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile

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

Bdf 9145 [DBID]
Bdf-9145 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 782.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 427.1±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 30.00
ACD/KOC (pH 5.5): 194.63
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 322.48
ACD/KOC (pH 7.4): 2092.47
Polar Surface Area: 109 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 391.7±5.0 cm3

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