ChemSpider 2D Image | (2S)-2-(4-Chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl}-3-[(~2~H_7_)-2-propanylamino]-1-propanone | C24H25D7ClN5O2

(2S)-2-(4-Chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl}-3-[(2H7)-2-propanylamino]-1-propanone

  • Molecular FormulaC24H25D7ClN5O2
  • Average mass465.039 Da
  • Monoisotopic mass464.268402 Da
  • ChemSpider ID58781704
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2S)-2-(4-Chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl}-3-[(2H7)-2-propanylamino]-1-propanone [ACD/IUPAC Name]
(2S)-2-(4-Chlorophényl)-1-{4-[(5R,7R)-7-hydroxy-5-méthyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-pipérazinyl}-3-[(2H7)-2-propanylamino]-1-propanone [French] [ACD/IUPAC Name]
(2S)-2-(4-Chlorphenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl}-3-[(2H7)-2-propanylamino]-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 2-(4-chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl]-3-[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.7±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.03
Polar Surface Area: 82 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 365.2±3.0 cm3

Click to predict properties on the Chemicalize site






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