Found 1 result

Search term: ANSUETKROJEMSJ-GDLZYMKVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{6-[5-Chloro-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1S)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]acetamide | C29H30ClN5O4

2-{6-[5-Chloro-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1S)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]acetamide

  • Molecular FormulaC29H30ClN5O4
  • Average mass548.033 Da
  • Monoisotopic mass547.198608 Da
  • ChemSpider ID129222446

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{6-[5-Chlor-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1S)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]acetamid [German] [ACD/IUPAC Name]
2-{6-[5-Chloro-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1S)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]acetamide [ACD/IUPAC Name]
2-{6-[5-Chloro-2-(tétrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1S)-1-(hydroxyméthyl)-2,3-dihydro-1H-indén-1-yl]acétamide [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetamide, 6-[5-chloro-2-[(tetrahydro-2H-pyran-4-yl)amino]-4-pyrimidinyl]-N-[(1S)-2,3-dihydro-1-(hydroxymethyl)-1H-inden-1-yl]-1,3-dihydro-1-oxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.09
ACD/KOC (pH 5.5): 751.20
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.10
ACD/KOC (pH 7.4): 751.30
Polar Surface Area: 117 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 378.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement