ChemSpider 2D Image | 4-({[(3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-5'-yl]carbonyl}amino)bicyclo[2.2.2]octane-1-carboxylic aci d (non-preferred name) | C34H38Cl2FN3O4

4-({[(3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-5'-yl]carbonyl}amino)bicyclo[2.2.2]octane-1-carboxylic aci d (non-preferred name)

  • Molecular FormulaC34H38Cl2FN3O4
  • Average mass642.588 Da
  • Monoisotopic mass641.222351 Da
  • ChemSpider ID64853887

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1818393-16-6 [RN]
4-({[(3'R,4'S,5'R)-6''-Chlor-4'-(3-chlor-2-fluorphenyl)-1'-ethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-5'-yl]carbonyl}amino)bicyclo[2.2.2]octan-1-carbonsäure (non-p referred name) [German] [ACD/IUPAC Name]
4-({[(3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-5'-yl]carbonyl}amino)bicyclo[2.2.2]octane-1-carboxylic aci d (non-preferred name) [ACD/IUPAC Name]
Acide 4-({[(3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophényl)-1'-éthyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-5'-yl]carbonyl}amino)bicyclo[2.2.2]octane-1-carboxyl ique (non-preferred name) [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-[[[(3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-1'',2''-dihydro-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-[3H]indol]-5'-yl]carbonyl ]amino]- [ACD/Index Name]
4-((3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamido)bicyclo[2.2.2]octane-1-carboxylic acid
AA-115
Alrizomadlin
APG-115
Compound 1640
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

15QAU0SI9J [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: 805.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 441.1±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 165.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 1072.11
ACD/KOC (pH 5.5): 1289.77
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 411.55
ACD/KOC (pH 7.4): 495.11
Polar Surface Area: 99 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 450.4±5.0 cm3

Click to predict properties on the Chemicalize site


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