Found 366 results

Search term: MF = 'C_{23}H_{26}N_{4}O_{7}S'
ChemSpider 2D Image | Dimethyl 5-[({1-[(3s,5s,7s)-adamantan-1-yl]-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate | C23H26N4O7S

Dimethyl 5-[({1-[(3s,5s,7s)-adamantan-1-yl]-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC23H26N4O7S
  • Average mass502.540 Da
  • Monoisotopic mass502.152222 Da
  • ChemSpider ID12523112

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[(4-nitro-1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)carbonyl]amino]-, dimethyl ester [ACD/Index Name]
5-[({1-[(3s,5s,7s)-Adamantan-1-yl]-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-méthyl-2,4-thiophènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-[({1-[(3s,5s,7s)-adamantan-1-yl]-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Dimethyl-5-[({1-[(3s,5s,7s)-adamantan-1-yl]-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
496010-93-6 [RN]
5-[(1-Adamantan-1-yl-4-nitro-1H-pyrazole-3-carbonyl)-amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester
dimethyl 5-({[1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
dimethyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 608.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.5±31.5 °C
Index of Refraction: 1.745
Molar Refractivity: 124.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2466.39
ACD/KOC (pH 5.5): 9324.65
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2465.47
ACD/KOC (pH 7.4): 9321.20
Polar Surface Area: 174 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 68.5±7.0 dyne/cm
Molar Volume: 307.5±7.0 cm3

Click to predict properties on the Chemicalize site


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