ChemSpider 2D Image | Apitolisib | C23H30N8O3S

Apitolisib

  • Molecular FormulaC23H30N8O3S
  • Average mass498.601 Da
  • Monoisotopic mass498.216156 Da
  • ChemSpider ID28424163

More details:

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

1-(4-{[2-(2-Amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-1-piperazinyl)-2-hydroxy-1-propanon [German] [ACD/IUPAC Name]
1-(4-{[2-(2-Amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-1-piperazinyl)-2-hydroxy-1-propanone [ACD/IUPAC Name]
1-(4-{[2-(2-Amino-5-pyrimidinyl)-7-méthyl-4-(4-morpholinyl)thiéno[3,2-d]pyrimidin-6-yl]méthyl}-1-pipérazinyl)-2-hydroxy-1-propanone [French] [ACD/IUPAC Name]
1-[4-[[2-(2-amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)-6-thieno[3,2-d]pyrimidinyl]methyl]-1-piperazinyl]-2-hydroxy-1-propanone
1-Propanone, 1-[4-[[2-(2-amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1-piperazinyl]-2-hydroxy- [ACD/Index Name]
Apitolisib [INN] [USAN]
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
(S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-hydroxypropan-1-one
1-(4-{[2-(2-AMINOPYRIMIDIN-5-YL)-7-METHYL-4-(MORPHOLIN-4-YL)THIENO[3,2-D]PYRIMIDIN-6-YL]METHYL}PIPERAZIN-1-YL)-2-HYDROXYPROPAN-1-ONE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 718.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 388.4±35.7 °C
Index of Refraction: 1.677
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 43.18
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.14
ACD/KOC (pH 7.4): 59.79
Polar Surface Area: 162 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

Click to predict properties on the Chemicalize site


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