ChemSpider 2D Image | (1s,3R,5S)-N-{2-[4-(2-Pyrimidinyl)-1-piperazinyl]ethyl}-1-adamantanecarboxamide | C21H31N5O

(1s,3R,5S)-N-{2-[4-(2-Pyrimidinyl)-1-piperazinyl]ethyl}-1-adamantanecarboxamide

  • Molecular FormulaC21H31N5O
  • Average mass369.504 Da
  • Monoisotopic mass369.252869 Da
  • ChemSpider ID32701387

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1s,3R,5S)-N-{2-[4-(2-Pyrimidinyl)-1-piperazinyl]ethyl}-1-adamantancarboxamid [German] [ACD/IUPAC Name]
(1s,3R,5S)-N-{2-[4-(2-Pyrimidinyl)-1-piperazinyl]ethyl}-1-adamantanecarboxamide [ACD/IUPAC Name]
(1s,3R,5S)-N-{2-[4-(2-Pyrimidinyl)-1-pipérazinyl]éthyl}-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-, (3R,5S)- [ACD/Index Name]
127266-56-2 [RN]
adatanserin [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 4.40
ACD/KOC (pH 5.5): 47.15
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 54.42
ACD/KOC (pH 7.4): 582.85
Polar Surface Area: 61 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 306.0±3.0 cm3

Click to predict properties on the Chemicalize site


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