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Search term: KICDUIMXMCSVGI-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-(4-{1-(6-Methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}phenyl)-2-thiophenecarboxylic acid | C30H28N6O5S

5-(4-{1-(6-Methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}phenyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC30H28N6O5S
  • Average mass584.646 Da
  • Monoisotopic mass584.184204 Da
  • ChemSpider ID28517860

More details:

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

2-Thiophenecarboxylic acid, 5-[4-[1-(6-methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl]phenyl]- [ACD/Index Name]
5-(4-{1-(6-Methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}phenyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(4-{1-(6-Methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}phenyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-(4-{1-(6-méthoxy-4-pyrimidinyl)-8-[(3-méthyl-2-pyridinyl)méthyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]déc-3-yl}phényl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 795.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 434.9±35.7 °C
Index of Refraction: 1.724
Molar Refractivity: 154.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 8.65
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.12
Polar Surface Area: 157 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 90.0±5.0 dyne/cm
Molar Volume: 389.4±5.0 cm3

Click to predict properties on the Chemicalize site


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