ChemSpider 2D Image | Ethyl 4-(4-{2-[(2Z)-2-{4-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]benzylidene}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C37H41N5O6S

Ethyl 4-(4-{2-[(2Z)-2-{4-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]benzylidene}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC37H41N5O6S
  • Average mass683.816 Da
  • Monoisotopic mass683.277771 Da
  • ChemSpider ID100871338

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(4-{2-[(2Z)-2-{4-[4-(Adamantan-1-yl)-1,3-thiazol-2-yl]benzylidène}hydrazino]-2-oxoéthoxy}-3-méthoxyphényl)-6-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-[3-methoxy-4-[2-oxo-2-[(2Z)-2-[[4-(4-tricyclo[3.3.1.13,7]dec-1-yl-2-thiazolyl)phenyl]methylene]hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-, ethyl este r [ACD/Index Name]
Ethyl 4-(4-{2-[(2Z)-2-{4-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]benzylidene}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-{2-[(2Z)-2-{4-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]benzyliden}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [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: 185.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 32028.32
ACD/KOC (pH 5.5): 58427.05
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 32022.55
ACD/KOC (pH 7.4): 58416.53
Polar Surface Area: 168 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 479.2±7.0 cm3

Click to predict properties on the Chemicalize site


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