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Search term: VTZPRLPCZBTKSH-VFICKSILSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3S,3'S,4'S,5'S)-4'-Amino-6-chloro-3'-(3-chloro-2-fluorophenyl)-1'-(3-ethoxybenzyl)-5'-methylspiro[indole-3,2'-pyrrolidin]-2(1H)-one | C27H26Cl2FN3O2

(3S,3'S,4'S,5'S)-4'-Amino-6-chloro-3'-(3-chloro-2-fluorophenyl)-1'-(3-ethoxybenzyl)-5'-methylspiro[indole-3,2'-pyrrolidin]-2(1H)-one

  • Molecular FormulaC27H26Cl2FN3O2
  • Average mass514.419 Da
  • Monoisotopic mass513.138611 Da
  • ChemSpider ID59053071

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,3'S,4'S,5'S)-4'-Amino-6-chlor-3'-(3-chlor-2-fluorphenyl)-1'-(3-ethoxybenzyl)-5'-methylspiro[indole-3,2'-pyrrolidin]-2(1H)-on [German] [ACD/IUPAC Name]
(3S,3'S,4'S,5'S)-4'-Amino-6-chloro-3'-(3-chloro-2-fluorophenyl)-1'-(3-ethoxybenzyl)-5'-methylspiro[indole-3,2'-pyrrolidin]-2(1H)-one [ACD/IUPAC Name]
(3S,3'S,4'S,5'S)-4'-Amino-6-chloro-3'-(3-chloro-2-fluorophényl)-1'-(3-éthoxybenzyl)-5'-méthylspiro[indole-3,2'-pyrrolidin]-2(1H)-one [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one, 4'-amino-6-chloro-3'-(3-chloro-2-fluorophenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-, (3S,3'S,4'S,5'S)- [ACD/Index Name]
(3{s},3'{s},4'{s},5'{s})-4'-Azanyl-6-Chloranyl-3'-(3-Chloranyl-2-Fluoranyl-Phenyl)-1'-[(3-Ethoxyphenyl)methyl]-5'-Methyl-Spiro[1~{h}-Indole-3,2'-Pyrrolidine]-2-One
6SS

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

Density: 1.4±0.1 g/cm3
Boiling Point: 618.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.6±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 25.07
ACD/KOC (pH 5.5): 65.03
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1229.64
ACD/KOC (pH 7.4): 3189.85
Polar Surface Area: 68 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 366.3±5.0 cm3

Click to predict properties on the Chemicalize site


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