ChemSpider 2D Image | T0156 | C31H29N5O7

T0156

  • Molecular FormulaC31H29N5O7
  • Average mass583.591 Da
  • Monoisotopic mass583.206726 Da
  • ChemSpider ID5175

More details:

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

2,7-Naphthyridine-3-carboxylic acid, 1,2-dihydro-2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyrimidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
2-[(2-Méthyl-4-pyridinyl)méthyl]-1-oxo-8-(2-pyrimidinylméthoxy)-4-(3,4,5-triméthoxyphényl)-1,2-dihydro-2,7-naphtyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyrimidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,7-naphthyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyrimidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,7-naphthyridin-3-carboxylat [German] [ACD/IUPAC Name]
T0156
2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyrimidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylic acid methyl ester
CHEMBL540294
methyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,7-naphthyridine-3-carboxylate
Methyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate

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

Lopac-T-8067 [DBID]
NCGC00016057-01 [DBID]
NCGC00025257-01 [DBID]
T-0156 [DBID]
Tocris-1676 [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: 779.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 425.0±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 21.88
ACD/KOC (pH 5.5): 260.31
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.13
ACD/KOC (pH 7.4): 513.14
Polar Surface Area: 135 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 439.1±3.0 cm3

Click to predict properties on the Chemicalize site


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