ChemSpider 2D Image | (2S)-2-(Benzylamino)-3-[(3,4-dichlorobenzyl)oxy]-1-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1-propanone | C30H32Cl2N2O2

(2S)-2-(Benzylamino)-3-[(3,4-dichlorobenzyl)oxy]-1-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1-propanone

  • Molecular FormulaC30H32Cl2N2O2
  • Average mass523.493 Da
  • Monoisotopic mass522.184082 Da
  • ChemSpider ID23148082

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Benzylamino)-3-[(3,4-dichlorbenzyl)oxy]-1-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1-propanon [German] [ACD/IUPAC Name]
(2S)-2-(Benzylamino)-3-[(3,4-dichlorobenzyl)oxy]-1-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1-propanone [ACD/IUPAC Name]
(2S)-2-(Benzylamino)-3-[(3,4-dichlorobenzyl)oxy]-1-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-[(3,4-dichlorophenyl)methoxy]-1-(2,3-dihydrospiro[1H-indene-1,4'-piperidin]-1'-yl)-2-[(phenylmethyl)amino]-, (2S)- [ACD/Index Name]
2-benzylamino-3-(3,4-dichlorobenzyloxy)-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl-(2S)-propan-1-one
CHEMBL299089
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL299089/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 357.0±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 27560.20
ACD/KOC (pH 5.5): 35525.60
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 104825.23
ACD/KOC (pH 7.4): 135121.64
Polar Surface Area: 42 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 406.0±5.0 cm3

Click to predict properties on the Chemicalize site


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