ChemSpider 2D Image | Ethyl 1-{[3'-(3-chloro-4-methylphenyl)-2,4'-dioxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}-4-piperidinecarboxylate | C26H28ClN3O4S

Ethyl 1-{[3'-(3-chloro-4-methylphenyl)-2,4'-dioxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}-4-piperidinecarboxylate

  • Molecular FormulaC26H28ClN3O4S
  • Average mass514.036 Da
  • Monoisotopic mass513.148926 Da
  • ChemSpider ID3227803

More details:

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

4-Piperidinecarboxylic acid, 1-[[3'-(3-chloro-4-methylphenyl)-2,4'-dioxospiro[3H-indole-3,2'-thiazolidin]-1(2H)-yl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[3'-(3-chloro-4-methylphenyl)-2,4'-dioxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
ETHYL 1-[[3-(3-CHLORO-4-METHYLPHENYL)-2',4-DIOXOSPIRO[1,3-THIAZOLIDINE-2,3'-INDOLE]-1'-YL]METHYL]PIPERIDINE-4-CARBOXYLATE
ethyl 1-{[3'-(3-chloro-4-methylphenyl)-2,4'-dioxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}piperidine-4-carboxylate
ethyl 1-{[3-(3-chloro-4-methylphenyl)-4,7-dioxospiro[1,3-thiazolidine-2,3'-indoline]-6-yl]methyl}piperidine-4-carboxylate

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

A2166/0090963 [DBID]
ChemDiv1_011730 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 789.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.0±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 122.27
ACD/KOC (pH 5.5): 670.22
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 631.91
ACD/KOC (pH 7.4): 3463.75
Polar Surface Area: 95 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 362.1±5.0 cm3

Click to predict properties on the Chemicalize site


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