ChemSpider 2D Image | N-(6-{(2Z)-2-[3-(Adamantan-1-yl)-4-hydroxy-5-methoxybenzylidene]hydrazino}-6-oxohexyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide | C34H49N5O5S

N-(6-{(2Z)-2-[3-(Adamantan-1-yl)-4-hydroxy-5-methoxybenzylidene]hydrazino}-6-oxohexyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

  • Molecular FormulaC34H49N5O5S
  • Average mass639.848 Da
  • Monoisotopic mass639.345459 Da
  • ChemSpider ID101756660

  • Double-bond stereo - Double-bond stereo

More details:

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

Hexanoic acid, 6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-, 2-[(1Z)-(4-hydroxy-3-methoxy-5-tricyclo[3.3.1.13,7]dec-1-ylphenyl)methylene]hydrazide [ACD/Index Name]
N-(6-{(2Z)-2-[3-(Adamantan-1-yl)-4-hydroxy-5-methoxybenzyliden]hydrazino}-6-oxohexyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamid [German] [ACD/IUPAC Name]
N-(6-{(2Z)-2-[3-(Adamantan-1-yl)-4-hydroxy-5-methoxybenzylidene]hydrazino}-6-oxohexyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide [ACD/IUPAC Name]
N-(6-{(2Z)-2-[3-(Adamantan-1-yl)-4-hydroxy-5-méthoxybenzylidène]hydrazino}-6-oxohexyl)-5-(2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl)pentanamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 172.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7234.44
ACD/KOC (pH 5.5): 20130.80
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7170.94
ACD/KOC (pH 7.4): 19954.10
Polar Surface Area: 166 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 445.8±7.0 cm3

Click to predict properties on the Chemicalize site


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