ChemSpider 2D Image | 1-[(3S)-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-2-propen-1-one | C22H26N8O2S

1-[(3S)-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-2-propen-1-one

  • Molecular FormulaC22H26N8O2S
  • Average mass466.559 Da
  • Monoisotopic mass466.189941 Da
  • ChemSpider ID35035953

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(3S)-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-2-propen-1-on [German] [ACD/IUPAC Name]
1-[(3S)-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-2-propen-1-one [ACD/IUPAC Name]
1-[(3S)-3-{[4-(4-Morpholinylméthyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-2-propén-1-one [French] [ACD/IUPAC Name]
1-[(3s)-3-{[4-(Morpholin-4-Ylmethyl)-6-([1,3]thiazolo[5,4-B]pyridin-2-Ylamino)pyrimidin-2-Yl]amino}pyrrolidin-1-Yl]prop-2-En-1-One
2-Propen-1-one, 1-[(3S)-3-[[4-(4-morpholinylmethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino]-1-pyrrolidinyl]- [ACD/Index Name]
G5K

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.9±35.7 °C
Index of Refraction: 1.720
Molar Refractivity: 129.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.36
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.85
Polar Surface Area: 137 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 83.3±3.0 dyne/cm
Molar Volume: 327.5±3.0 cm3

Click to predict properties on the Chemicalize site


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