Found 145 results

Search term: MF = 'C_{30}H_{28}N_{6}O_{3}S'
ChemSpider 2D Image | Ethyl 5-({(1Z)-3-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-1-hydroxy-1-propen-2-yl}amino)-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate | C30H28N6O3S

Ethyl 5-({(1Z)-3-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-1-hydroxy-1-propen-2-yl}amino)-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC30H28N6O3S
  • Average mass552.647 Da
  • Monoisotopic mass552.194336 Da
  • ChemSpider ID11159608

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[(Z)-1-[[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]methyl]-2-hydroxyethenyl]amino]-1-[(4-methylphenyl)methyl]-, ethyl ester [ACD/Index Name]
5-({(1Z)-3-[(4-Cyano-3-méthylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-1-hydroxy-1-propén-2-yl}amino)-1-(4-méthylbenzyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-({(1Z)-3-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-1-hydroxy-1-propen-2-yl}amino)-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl 5-({(1Z)-3-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-1-hydroxyprop-1-en-2-yl}amino)-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate
Ethyl-5-({(1Z)-3-[(4-cyan-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-1-hydroxy-1-propen-2-yl}amino)-1-(4-methylbenzyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
5-[1-(4-Cyano-3-methyl-benzo[4,5]imidazo[1,2-a]pyridin-1-ylsulfanylmethyl)-2-hydroxy-vinylamino]-1-(4-methyl-benzyl)-1H-pyrazole-4-carboxylic acid ethyl ester
ethyl 5-({(1Z)-1-[(4-cyano-3-methyl(10-hydropyridino[1,6-a]benzimidazolylthio))methyl]-2-hydroxyvinyl}amino)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

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: 1.678
Molar Refractivity: 157.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29299.51
ACD/KOC (pH 5.5): 54795.66
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29342.29
ACD/KOC (pH 7.4): 54875.68
Polar Surface Area: 143 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 417.6±7.0 cm3

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