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Search term: KKLAEPSPALTSJH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(4-Biphenylyl)-1-(6-methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6-carboxylic acid | C32H30N6O5

3-(4-Biphenylyl)-1-(6-methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6-carboxylic acid

  • Molecular FormulaC32H30N6O5
  • Average mass578.618 Da
  • Monoisotopic mass578.227783 Da
  • ChemSpider ID28506354

More details:

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

1,3,8-Triazaspiro[4.5]decane-6-carboxylic acid, 3-[1,1'-biphenyl]-4-yl-1-(6-methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo- [ACD/Index Name]
3-(4-Biphenylyl)-1-(6-methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-6-carbonsäure [German] [ACD/IUPAC Name]
3-(4-Biphenylyl)-1-(6-methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6-carboxylic acid [ACD/IUPAC Name]
Acide 3-(4-biphénylyl)-1-(6-méthoxy-4-pyrimidinyl)-8-[(3-méthyl-2-pyridinyl)méthyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]décane-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 791.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 432.4±35.7 °C
Index of Refraction: 1.710
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 10.03
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.97
Polar Surface Area: 129 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 400.1±5.0 cm3

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