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Search term: JGLUXTFIRPYAQV-WMLDXEAASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-2-Amino-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-1-piperazinyl}-1-propanone | C22H26N6OS

(2R)-2-Amino-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-1-piperazinyl}-1-propanone

  • Molecular FormulaC22H26N6OS
  • Average mass422.546 Da
  • Monoisotopic mass422.188873 Da
  • ChemSpider ID25060023

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-Amino-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-1-piperazinyl}-1-propanon [German] [ACD/IUPAC Name]
(2R)-2-Amino-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-1-piperazinyl}-1-propanone [ACD/IUPAC Name]
(2R)-2-Amino-3-(1H-indol-3-yl)-1-{4-[(5S)-5-méthyl-5,7-dihydrothiéno[3,4-d]pyrimidin-4-yl]-1-pipérazinyl}-1-propanone [French] [ACD/IUPAC Name]
(2r)-3-(1h-Indol-3-Yl)-1-{4-[(5s)-5-Methyl-5,7-Dihydrothieno[3,4-D]pyrimidin-4-Yl]piperazin-1-Yl}-1-Oxopropan-2-Amine
1-Propanone, 2-amino-1-[4-[(5S)-5,7-dihydro-5-methylthieno[3,4-d]pyrimidin-4-yl]-1-piperazinyl]-3-(1H-indol-3-yl)-, (2R)- [ACD/Index Name]
SMY

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

Density: 1.4±0.1 g/cm3
Boiling Point: 725.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.2±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 5.58
ACD/KOC (pH 7.4): 73.25
Polar Surface Area: 116 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 312.7±3.0 cm3

Click to predict properties on the Chemicalize site


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