ChemSpider 2D Image | 3-{1-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2-methylpropan-2-yl}-1-hydroxy-1-methylurea | C28H38ClN3O2S

3-{1-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2-methylpropan-2-yl}-1-hydroxy-1-methylurea

  • Molecular FormulaC28H38ClN3O2S
  • Average mass516.138 Da
  • Monoisotopic mass515.237305 Da
  • ChemSpider ID8111982

More details:

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

3-(1-{1-(4-Chlorbenzyl)-5-isopropyl-3-[(2-methyl-2-propanyl)sulfanyl]-1H-indol-2-yl}-2-methyl-2-propanyl)-1-hydroxy-1-methylharnstoff [German] [ACD/IUPAC Name]
3-(1-{1-(4-Chlorobenzyl)-5-isopropyl-3-[(2-methyl-2-propanyl)sulfanyl]-1H-indol-2-yl}-2-methyl-2-propanyl)-1-hydroxy-1-methylurea [ACD/IUPAC Name]
3-(1-{1-(4-Chlorobenzyl)-5-isopropyl-3-[(2-méthyl-2-propanyl)sulfanyl]-1H-indol-2-yl}-2-méthyl-2-propanyl)-1-hydroxy-1-méthylurée [French] [ACD/IUPAC Name]
3-{1-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2-methylpropan-2-yl}-1-hydroxy-1-methylurea
Urea, N'-[2-[1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-(1-methylethyl)-1H-indol-2-yl]-1,1-dimethylethyl]-N-hydroxy-N-methyl- [ACD/Index Name]
3-{2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-1,1-dimethyl-ethyl}-1-hydroxy-1-methyl-urea
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL290170/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 173393.09
ACD/KOC (pH 5.5): 195732.81
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 172088.80
ACD/KOC (pH 7.4): 194260.47
Polar Surface Area: 83 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 39.6±7.0 dyne/cm
Molar Volume: 445.7±7.0 cm3

Click to predict properties on the Chemicalize site


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