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

5-(1,3-Benzothiazol-2-yl)-6-[(3R)-3-piperidinylamino]-2-[1-(2-pyrimidinyl)-4-piperidinyl]-4(3H)-pyrimidinone

  • Molecular FormulaC25H28N8OS
  • Average mass488.608 Da
  • Monoisotopic mass488.210663 Da
  • ChemSpider ID76796458

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4(3H)-Pyrimidinone, 5-(2-benzothiazolyl)-6-[(3R)-3-piperidinylamino]-2-[1-(2-pyrimidinyl)-4-piperidinyl]- [ACD/Index Name]
5-(1,3-Benzothiazol-2-yl)-6-[(3R)-3-piperidinylamino]-2-[1-(2-pyrimidinyl)-4-piperidinyl]-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
5-(1,3-Benzothiazol-2-yl)-6-[(3R)-3-piperidinylamino]-2-[1-(2-pyrimidinyl)-4-piperidinyl]-4(3H)-pyrimidinone [ACD/IUPAC Name]
5-(1,3-Benzothiazol-2-yl)-6-[(3R)-3-pipéridinylamino]-2-[1-(2-pyrimidinyl)-4-pipéridinyl]-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.801
Molar Refractivity: 136.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 68.7±7.0 dyne/cm
Molar Volume: 319.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement