Found 1 result

Search term: UFZKNCXXIFQTNB-QPLCGJKRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{[(2Z)-5-Ethyl-3-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}-1-cyclopentene-1-carboxylic acid | C25H23N7O3S

2-{[(2Z)-5-Ethyl-3-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}-1-cyclopentene-1-carboxylic acid

  • Molecular FormulaC25H23N7O3S
  • Average mass501.560 Da
  • Monoisotopic mass501.158295 Da
  • ChemSpider ID8003088

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Cyclopentene-1-carboxylic acid, 2-[[[(2Z)-5-ethyl-3-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1,3,4-thiadiazol-2(3H)-ylidene]amino]carbonyl]- [ACD/Index Name]
2-{[(2Z)-5-Ethyl-3-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3,4-thiadiazol-2(3H)-yliden]carbamoyl}-1-cyclopenten-1-carbonsäure [German] [ACD/IUPAC Name]
2-{[(2Z)-5-Ethyl-3-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}-1-cyclopentene-1-carboxylic acid [ACD/IUPAC Name]
2-{[(2Z)-5-ethyl-3-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Acide 2-{[(2Z)-5-éthyl-3-{[2'-(2H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1,3,4-thiadiazol-2(3H)-ylidène]carbamoyl}-1-cyclopentène-1-carboxylique [French] [ACD/IUPAC Name]
167006-13-5 [RN]
2-[[5-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-ylidene]carbamoyl]cyclopentene-1-carboxylic acid
2-[3-[2'-(1H-Tetrazole-5-yl)-4-biphenylylmethyl]-5-ethyl-2,3-dihydro-1,3,4-thiadiazole-2-ylideneaminocarbonyl]-1-cyclopentene-1-carboxylic acid
2-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-[1,3,4]thiadiazol-(2Z)-ylidenecarbamoyl]-cyclopent-1-enecarboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL284918/
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 746.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.5±35.7 °C
Index of Refraction: 1.753
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 13.35
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 65.5±7.0 dyne/cm
Molar Volume: 336.5±7.0 cm3

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