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Search term: SOYXIWFQNXVTEV-DTTGCUBOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {(3S)-6-Chloro-5-methyl-3-[2-(1-methyl-1H-1,2,4-triazol-5-yl)-2-propanyl]-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl}{(1R,2R)-2-(2,4-difluorophenyl)-4-[methyl(tetrahydro-2H-pyran-4-yl)amino]cy clopentyl}methanone | C38H48ClF2N5O2

{(3S)-6-Chloro-5-methyl-3-[2-(1-methyl-1H-1,2,4-triazol-5-yl)-2-propanyl]-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl}{(1R,2R)-2-(2,4-difluorophenyl)-4-[methyl(tetrahydro-2H-pyran-4-yl)amino]cy clopentyl}methanone

  • Molecular FormulaC38H48ClF2N5O2
  • Average mass680.270 Da
  • Monoisotopic mass679.346436 Da
  • ChemSpider ID20578046

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

{(3S)-6-Chlor-5-methyl-3-[2-(1-methyl-1H-1,2,4-triazol-5-yl)-2-propanyl]-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl}{(1R,2R)-2-(2,4-difluorphenyl)-4-[methyl(tetrahydro-2H-pyran-4-yl)amino]cycl opentyl}methanon [German] [ACD/IUPAC Name]
{(3S)-6-Chloro-5-methyl-3-[2-(1-methyl-1H-1,2,4-triazol-5-yl)-2-propanyl]-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl}{(1R,2R)-2-(2,4-difluorophenyl)-4-[methyl(tetrahydro-2H-pyran-4-yl)amino]cy clopentyl}methanone [ACD/IUPAC Name]
{(3S)-6-Chloro-5-méthyl-3-[2-(1-méthyl-1H-1,2,4-triazol-5-yl)-2-propanyl]-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl}{(1R,2R)-2-(2,4-difluorophényl)-4-[méthyl(tétrahydro-2H-pyran-4-yl)amino]cy clopentyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [(3S)-6-chloro-2,3-dihydro-5-methyl-3-[1-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]spiro[1H-indene-1,4'-piperidin]-1'-yl][(1R,2R)-2-(2,4-difluorophenyl)-4-[methyl(tetrahydro-2H-pyran-4 -yl)amino]cyclopentyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 780.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.6±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 184.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 22.45
ACD/KOC (pH 5.5): 43.60
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 207.39
ACD/KOC (pH 7.4): 402.88
Polar Surface Area: 63 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 510.3±7.0 cm3

Click to predict properties on the Chemicalize site


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