ChemSpider 2D Image | (2S,3R,4R,5R)-N-(4-Carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide | C29H29Cl2FN4O4S

(2S,3R,4R,5R)-N-(4-Carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide

  • Molecular FormulaC29H29Cl2FN4O4S
  • Average mass619.534 Da
  • Monoisotopic mass618.127075 Da
  • ChemSpider ID31135029

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4R,5R)-N-(4-Carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide [ACD/IUPAC Name]
Spiro[pyrrolidine-3,6'-[6H]thieno[3,2-b]pyrrole]-5-carboxamide, N-[4-(aminocarbonyl)-2-methoxyphenyl]-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-4',5'-dihydro-5'-oxo-, (2S,3R,4R,5R)- [ACD/Index Name]
(2'R,3'R,5'S,6R)-N-(4-carbamoyl-2-methoxyphenyl)-2-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-oxospiro[4H-thieno[3,2-b]pyrrole-6,4'-pyrrolidine]-2'-carboxamide
1360821-61-9 [RN]
MDM2
RO5353

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

Density: 1.5±0.1 g/cm3
Boiling Point: 759.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 412.9±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 5765.17
ACD/KOC (pH 5.5): 12621.64
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16460.77
ACD/KOC (pH 7.4): 36037.45
Polar Surface Area: 151 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 423.0±5.0 cm3

Click to predict properties on the Chemicalize site


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