ChemSpider 2D Image | Dilazep | C31H44N2O10

Dilazep

  • Molecular FormulaC31H44N2O10
  • Average mass604.688 Da
  • Monoisotopic mass604.299622 Da
  • ChemSpider ID2965

More details:

Featured data source
The Merck Index Online

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

1,4-Bis[3-(3,4,5-trimethoxybenzoyloxy)propyl]perhydro-1,4-diazepine
1,4-Diazepan-1,4-diyldi-3,1-propandiyl-bis(3,4,5-trimethoxybenzoat) [German] [ACD/IUPAC Name]
1,4-Diazepane-1,4-diyldi-3,1-propanediyl bis(3,4,5-trimethoxybenzoate) [ACD/IUPAC Name]
1,4-Diazepane-1,4-diyldipropane-3,1-diyl bis(3,4,5-trimethoxybenzoate)
20153-98-4 [RN]
243-548-8 [EINECS]
3,4,5-Trimethoxybenzoic Acid (Tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl Ester
35898-87-4 [RN]
Benzoic acid, 3,4,5-trimethoxy-, (tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl ester [ACD/Index Name]
Bis(3,4,5-triméthoxybenzoate) de 1,4-diazépane-1,4-diyldi-3,1-propanediyle [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2779 [DBID]
F8KLC2BD5Z [DBID]
K 285 [DBID]
AS 05 [DBID]
Asta C 4898 [DBID]
BPBio1_000343 [DBID]
BSPBio_000311 [DBID]
Lopac0_000369 [DBID]
NCGC00016747-01 [DBID]
NCGC00024610-01 [DBID]
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  • Miscellaneous

    • Chemical Class:

      A member of the class of diazepanes that is 1,4-diazepane substituted by 3-[(3,4,5-trimethoxybenzoyl)oxy]propyl groups at positions 1 and 4. It is a potent adenosine uptake inhibitor that exhibits ant iplatelet, antianginal and vasodilator properties. ChEBI CHEBI:92842

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction: 1.527
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.14
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 9.57
ACD/KOC (pH 7.4): 60.70
Polar Surface Area: 114 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 523.1±3.0 cm3

Click to predict properties on the Chemicalize site


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