ChemSpider 2D Image | (4R)-1-[(3R)-1-({2,4-Bis[(~3~H_3_)methyloxy]phenyl}sulfonyl)-5-chloro-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-L-prolinamide | C30H26T6ClN3O8S

(4R)-1-[(3R)-1-({2,4-Bis[(3H3)methyloxy]phenyl}sulfonyl)-5-chloro-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-L-prolinamide

  • Molecular FormulaC30H26T6ClN3O8S
  • Average mass642.157 Da
  • Monoisotopic mass641.209229 Da
  • ChemSpider ID28526610

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4R)-1-[(3R)-1-({2,4-Bis[(3H3)methyloxy]phenyl}sulfonyl)-5-chlor-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-[(3R)-1-({2,4-Bis[(3H3)methyloxy]phenyl}sulfonyl)-5-chloro-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-L-prolinamide [ACD/IUPAC Name]
(4R)-1-[(3R)-1-({2,4-Bis[(3H3)méthyloxy]phényl}sulfonyl)-5-chloro-3-(2-méthoxyphényl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-diméthyl-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(3R)-1-[[2,4-bis(methyl-t3-oxy)phenyl]sulfonyl]-5-chloro-2,3-dihydro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-, (2S,4R)- [ACD/Index Name]
(2S,4R)-1-[(3R)-1-[2,4-bis(tritritiomethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
[3H]nelivaptan
[3H]SSR149415
[3H]-SSR149415
[3H]-SSR149415|[3H]SSR149415
[³H]nelivaptan

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

Density:
Boiling Point: 799.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.4±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.42
ACD/KOC (pH 5.5): 789.88
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.46
ACD/KOC (pH 7.4): 790.30
Polar Surface Area: 134 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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