ChemSpider 2D Image | Dimethyl 3,3'-{4-[(methoxycarbonyl)amino]-1-butene-1,1-diyl}bis(5-chloro-6-methoxybenzoate) | C24H25Cl2NO8

Dimethyl 3,3'-{4-[(methoxycarbonyl)amino]-1-butene-1,1-diyl}bis(5-chloro-6-methoxybenzoate)

  • Molecular FormulaC24H25Cl2NO8
  • Average mass526.363 Da
  • Monoisotopic mass525.095703 Da
  • ChemSpider ID439417

More details:

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

3,3'-{4-[(Méthoxycarbonyl)amino]-1-butène-1,1-diyl}bis(5-chloro-6-méthoxybenzoate) de diméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,3'-[4-[(methoxycarbonyl)amino]-1-buten-1-ylidene]bis[5-chloro-6-methoxy-, dimethyl ester [ACD/Index Name]
Dimethyl 3,3'-{4-[(methoxycarbonyl)amino]-1-butene-1,1-diyl}bis(5-chloro-6-methoxybenzoate) [ACD/IUPAC Name]
dimethyl 3,3'-{4-[(methoxycarbonyl)amino]but-1-ene-1,1-diyl}bis(5-chloro-6-methoxybenzoate)
Dimethyl-3,3'-{4-[(methoxycarbonyl)amino]-1-buten-1,1-diyl}bis(5-chlor-6-methoxybenzoat) [German] [ACD/IUPAC Name]
4-(N-Methoxycarbonyl)amino-3',3''-dichloro-4',4''-dimethoxy-5',5''-bis(methoxycarbonyl)-1,1-diphenylbutene
Alkenyldiarylmethanes (ADAM) 40a
Methyl 3-chloro-5-{1-[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]-4-(methoxycarbonylamino)but-1-enyl}-2-methoxybenzoate

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

AIDS165223 [DBID]
AIDS-165223 [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: 667.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.7±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 131.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11525.50
ACD/KOC (pH 5.5): 28114.15
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11525.30
ACD/KOC (pH 7.4): 28113.66
Polar Surface Area: 109 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 406.4±3.0 cm3

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