ChemSpider 2D Image | ATI-22-107 | C31H32Cl2N4O8

ATI-22-107

  • Molecular FormulaC31H32Cl2N4O8
  • Average mass659.514 Da
  • Monoisotopic mass658.159729 Da
  • ChemSpider ID8185141

More details:

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

2-(2-(2-(2-chloro-4-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenoxy)acetylamino)ethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
2-{[2-({2-[2-Chloro-4-(6-oxo-1,4,5,6-tétrahydro-3-pyridazinyl)phénoxy]acétyl}amino)éthoxy]méthyl}-4-(2-chlorophényl)-6-méthyl-1,4-dihydro-3,5-pyridinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-[[2-[[2-[2-chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy]acetyl]amino]ethoxy]methyl]-1,4-dihydro-6-methyl-, dimethyl ester [ACD/Index Name]
681816-57-9 [RN]
ATI-22-107
Dimethyl 2-{[2-({[2-chloro-4-(6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenoxy]acetyl}amino)ethoxy]methyl}-4-(2-chlorophenyl)-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Dimethyl-2-{[2-({[2-chlor-4-(6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenoxy]acetyl}amino)ethoxy]methyl}-4-(2-chlorphenyl)-6-methyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
2-[2-[[2-[2-chloro-4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
2-[2-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-1-oxoethyl]amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
3,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-((2-(((2-chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy)acetyl)amino)ethoxy)methyl)-1,4-dihydro-6-methyl-, dimethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ACV050QCE2 [DBID]
UNII:ACV050QCE2 [DBID]
UNII-ACV050QCE2 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 165.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 844.40
ACD/KOC (pH 5.5): 4328.97
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 844.67
ACD/KOC (pH 7.4): 4330.35
Polar Surface Area: 154 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 466.4±7.0 cm3

Click to predict properties on the Chemicalize site


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