ChemSpider 2D Image | (3S)-(5,5-~2~H_2_)-3-Morpholinyl(~2~H_2_)methyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate | C27H23D4FN8O3

(3S)-(5,5-2H2)-3-Morpholinyl(2H2)methyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate

  • Molecular FormulaC27H23D4FN8O3
  • Average mass534.578 Da
  • Monoisotopic mass534.244141 Da
  • ChemSpider ID48059130

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S)-(5,5-2H2)-3-Morpholinyl(2H2)methyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate [ACD/IUPAC Name]
(3S)-(5,5-2H2)-3-Morpholinyl(2H2)methyl-(4-{[1-(3-fluorbenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamat [German] [ACD/IUPAC Name]
(4-{[1-(3-Fluorobenzyl)-1H-indazol-5-yl]amino}-5-méthylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate de (3S)-(5,5-2H2)-3-morpholinyl(2H2)méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-, (3S)-3-morpholinyl-5,5-d2-methyl-d2 ester [ACD/Index Name]
[dideuterio-[(3S)-5,5-dideuteriomorpholin-3-yl]methyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
1330172-72-9 [RN]
BMS 599626-d4

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.77
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 8.06
ACD/KOC (pH 7.4): 89.95
Polar Surface Area: 120 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 357.6±7.0 cm3

Click to predict properties on the Chemicalize site


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