ChemSpider 2D Image | 5-(1,3-Benzothiazol-2-yl)-6-[(3S)-3-piperidinylamino]-2-[1-(2-pyrimidinyl)-4-piperidinyl]-4-pyrimidinol | C25H28N8OS

5-(1,3-Benzothiazol-2-yl)-6-[(3S)-3-piperidinylamino]-2-[1-(2-pyrimidinyl)-4-piperidinyl]-4-pyrimidinol

  • Molecular FormulaC25H28N8OS
  • Average mass488.608 Da
  • Monoisotopic mass488.210663 Da
  • ChemSpider ID98661366

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Pyrimidinol, 5-(2-benzothiazolyl)-6-[(3S)-3-piperidinylamino]-2-[1-(2-pyrimidinyl)-4-piperidinyl]- [ACD/Index Name]
5-(1,3-Benzothiazol-2-yl)-6-[(3S)-3-piperidinylamino]-2-[1-(2-pyrimidinyl)-4-piperidinyl]-4-pyrimidinol [German] [ACD/IUPAC Name]
5-(1,3-Benzothiazol-2-yl)-6-[(3S)-3-piperidinylamino]-2-[1-(2-pyrimidinyl)-4-piperidinyl]-4-pyrimidinol [ACD/IUPAC Name]
5-(1,3-Benzothiazol-2-yl)-6-[(3S)-3-pipéridinylamino]-2-[1-(2-pyrimidinyl)-4-pipéridinyl]-4-pyrimidinol [French] [ACD/IUPAC 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: 759.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 413.1±35.7 °C
Index of Refraction: 1.700
Molar Refractivity: 138.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.65
Polar Surface Area: 140 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 357.3±3.0 cm3

Click to predict properties on the Chemicalize site


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