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Search term: SNGOFQULYMNZJN-RQZHXJHFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{[(2Z)-5-Ethyl-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}benzoic acid | C26H21N7O3S

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

  • Molecular FormulaC26H21N7O3S
  • Average mass511.555 Da
  • Monoisotopic mass511.142670 Da
  • ChemSpider ID23131319

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2Z)-5-Ethyl-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3,4-thiadiazol-2(3H)-yliden]carbamoyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[(2Z)-5-Ethyl-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}benzoic 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}benzoic acid
Acide 2-{[(2Z)-5-éthyl-3-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1,3,4-thiadiazol-2(3H)-ylidène]carbamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic 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]
N-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-[1,3,4]thiadiazol-(2Z)-ylidene]-phthalamic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 778.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 424.8±35.7 °C
Index of Refraction: 1.740
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.18
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 352.5±7.0 cm3

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