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Search term: NVLWVAYRGMMSMS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(1-{[2-({[4-Phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one | C30H26N8O2S2

1-(1-{[2-({[4-Phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one

  • Molecular FormulaC30H26N8O2S2
  • Average mass594.710 Da
  • Monoisotopic mass594.161987 Da
  • ChemSpider ID2598306

More details:

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

1-(1-{[2-({[4-Phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
1-(1-{[2-({[4-Phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
1-(1-{[2-({[4-Phényl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-1,3-thiazol-4-yl]carbonyl}-4-pipéridinyl)-1,3-dihydro-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[[2-[[[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]carbonyl]-4-piperidinyl]- [ACD/Index 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: 1.792
Molar Refractivity: 167.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 343.46
ACD/KOC (pH 5.5): 2273.84
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 343.50
ACD/KOC (pH 7.4): 2274.16
Polar Surface Area: 163 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 69.9±7.0 dyne/cm
Molar Volume: 394.5±7.0 cm3

Click to predict properties on the Chemicalize site


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