Found 238 results

Search term: MF = 'C_{27}H_{30}N_{2}O_{4}S_{2}'
ChemSpider 2D Image | Ethyl 5-acetyl-2-[({[3-(cyclopentylmethyl)-2-quinolinyl]sulfanyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate | C27H30N2O4S2

Ethyl 5-acetyl-2-[({[3-(cyclopentylmethyl)-2-quinolinyl]sulfanyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC27H30N2O4S2
  • Average mass510.668 Da
  • Monoisotopic mass510.164703 Da
  • ChemSpider ID2470079

More details:

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

3-Thiophenecarboxylic acid, 5-acetyl-2-[[2-[[3-(cyclopentylmethyl)-2-quinolinyl]thio]acetyl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
5-Acétyl-2-[(2-{[3-(cyclopentylméthyl)-2-quinoléinyl]sulfanyl}acétyl)amino]-4-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-acetyl-2-[({[3-(cyclopentylmethyl)-2-quinolinyl]sulfanyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-5-acetyl-2-[({[3-(cyclopentylmethyl)-2-chinolinyl]sulfanyl}acetyl)amino]-4-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
ETHYL 5-ACETYL-2-(2-{[3-(CYCLOPENTYLMETHYL)QUINOLIN-2-YL]SULFANYL}ACETAMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE

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

ASN 06262690 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.2±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 50470.13
ACD/KOC (pH 5.5): 80898.04
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 50498.18
ACD/KOC (pH 7.4): 80943.00
Polar Surface Area: 139 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 392.2±5.0 cm3

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