Found 83 results

Search term: MF = 'C_{35}H_{38}N_{2}O_{5}S'
ChemSpider 2D Image | Isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate | C35H38N2O5S

Isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

  • Molecular FormulaC35H38N2O5S
  • Average mass598.752 Da
  • Monoisotopic mass598.250122 Da
  • ChemSpider ID1391494

More details:

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

2-({[2-(1,3-Benzodioxol-5-yl)-4-quinoléinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-décahydrocyclododéca[b]thiophène-3-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
Cyclododeca[b]thiophene-3-carboxylic acid, 2-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydro-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate [ACD/IUPAC Name]
Isopropyl 2-({[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Isopropyl-2-({[2-(1,3-benzodioxol-5-yl)-4-chinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-[(2-Benzo[1,3]dioxol-5-yl-quinoline-4-carbonyl)-amino]-4,5,6,7,8,9,10,11,12,13-decahydro-1-thia-cyclopentacyclododecene-3-carboxylic acid isopropyl ester
445233-63-6 [RN]
AC1LX26C
AGN-PC-0K8YGG
AKOS003298830
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/41024246 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 720.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.3±3.0 kJ/mol
    Flash Point: 389.6±32.9 °C
    Index of Refraction: 1.623
    Molar Refractivity: 171.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 11.76
    ACD/LogD (pH 5.5): 9.55
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 3723120.75
    ACD/LogD (pH 7.4): 9.55
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 3727792.00
    Polar Surface Area: 115 Å2
    Polarizability: 67.9±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 486.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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