ChemSpider 2D Image | 1'-(2-Methylalanyl-5-phenyl-D-norvalyl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] | C28H38N4O4S

1'-(2-Methylalanyl-5-phenyl-D-norvalyl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine]

  • Molecular FormulaC28H38N4O4S
  • Average mass526.691 Da
  • Monoisotopic mass526.261353 Da
  • ChemSpider ID170585

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1'-(2-Methylalanyl-5-phenyl-D-norvalyl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] [ACD/IUPAC Name]
1'-(2-Methylalanyl-5-phenyl-D-norvalyl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] [German] [ACD/IUPAC Name]
1'-(2-Méthylalanyl-5-phényl-D-norvalyl)-1-(méthylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] [French] [ACD/IUPAC Name]
159634-54-5 [RN]
Propanamide, 2-amino-N-[(1R)-1-[[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4'-piperidin]-1'-yl]carbonyl]-4-phenylbutyl]-2-methyl- [ACD/Index Name]
1N-[1-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-ylcarbonyl]-4-phenyl-(1R)-butyl]-2-amino-2-methylpropanamide(L-163,255)
2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]propanamide
L 163,255
L-163,255

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

L 163255 [DBID]
L-163255 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.72
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 41.35
ACD/KOC (pH 7.4): 365.91
Polar Surface Area: 121 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 410.2±5.0 cm3

Click to predict properties on the Chemicalize site


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