Found 1 result

Search term: VRTRTFOMZBUCBE-WUFINQPMSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{(4S,5R)-4-(3-Chlorophenyl)-5-(4-chlorophenyl)-1-[(3-oxo-1-piperazinyl)carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-isopropoxybenzonitrile | C30H27Cl2N5O3

4-{(4S,5R)-4-(3-Chlorophenyl)-5-(4-chlorophenyl)-1-[(3-oxo-1-piperazinyl)carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-isopropoxybenzonitrile

  • Molecular FormulaC30H27Cl2N5O3
  • Average mass576.473 Da
  • Monoisotopic mass575.149109 Da
  • ChemSpider ID59053439

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(4s,5r)-4-(3-Chlorophenyl)-5-(4-Chlorophenyl)-1-(3-Oxidanylidenepiperazin-1-Yl)carbonyl-4,5-Dihydroimidazol-2-Yl]-3-Propan-2-Yloxy-Benzenecarbonitrile
4-{(4S,5R)-4-(3-Chlorophenyl)-5-(4-chlorophenyl)-1-[(3-oxo-1-piperazinyl)carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-isopropoxybenzonitrile [ACD/IUPAC Name]
4-{(4S,5R)-4-(3-Chlorophényl)-5-(4-chlorophényl)-1-[(3-oxo-1-pipérazinyl)carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-isopropoxybenzonitrile [French] [ACD/IUPAC Name]
4-{(4S,5R)-4-(3-Chlorphenyl)-5-(4-chlorphenyl)-1-[(3-oxo-1-piperazinyl)carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-isopropoxybenzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1-[(3-oxo-1-piperazinyl)carbonyl]-1H-imidazol-2-yl]-3-(1-methylethoxy)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 920.02
ACD/KOC (pH 5.5): 4603.03
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 920.32
ACD/KOC (pH 7.4): 4604.56
Polar Surface Area: 98 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 417.9±7.0 cm3

Click to predict properties on the Chemicalize site


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