ChemSpider 2D Image | (3S)-3-[(1S)-1-{[4-(1H-Benzimidazol-1-yl)-2-pyrimidinyl]amino}ethyl]-3,4-dimethyl-N-(1-naphthyl)-1-piperazinecarboxamide | C30H32N8O

(3S)-3-[(1S)-1-{[4-(1H-Benzimidazol-1-yl)-2-pyrimidinyl]amino}ethyl]-3,4-dimethyl-N-(1-naphthyl)-1-piperazinecarboxamide

  • Molecular FormulaC30H32N8O
  • Average mass520.628 Da
  • Monoisotopic mass520.269897 Da
  • ChemSpider ID24630935

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-[(1S)-1-{[4-(1H-Benzimidazol-1-yl)-2-pyrimidinyl]amino}ethyl]-3,4-dimethyl-N-(1-naphthyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
(3S)-3-[(1S)-1-{[4-(1H-Benzimidazol-1-yl)-2-pyrimidinyl]amino}ethyl]-3,4-dimethyl-N-(1-naphthyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
(3S)-3-[(1S)-1-{[4-(1H-Benzimidazol-1-yl)-2-pyrimidinyl]amino}éthyl]-3,4-diméthyl-N-(1-naphtyl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
1-Piperazinecarboxamide, 3-[(1S)-1-[[4-(1H-benzimidazol-1-yl)-2-pyrimidinyl]amino]ethyl]-3,4-dimethyl-N-1-naphthalenyl-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 153.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 20.40
ACD/KOC (pH 5.5): 109.82
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 494.87
ACD/KOC (pH 7.4): 2664.04
Polar Surface Area: 91 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 399.7±7.0 cm3

Click to predict properties on the Chemicalize site


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