ChemSpider 2D Image | 2-[4-(5-Acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-2-methoxyphenoxy]-N'-[(Z)-{4-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]phenyl}methylene]acetohydrazide | C36H39N5O5S

2-[4-(5-Acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-2-methoxyphenoxy]-N'-[(Z)-{4-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]phenyl}methylene]acetohydrazide

  • Molecular FormulaC36H39N5O5S
  • Average mass653.790 Da
  • Monoisotopic mass653.267212 Da
  • ChemSpider ID100871334

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[4-(5-Acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-2-methoxyphenoxy]-N'-[(Z)-{4-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]phenyl}methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-[4-(5-Acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-2-methoxyphenoxy]-N'-[(Z)-{4-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]phenyl}methylene]acetohydrazide [ACD/IUPAC Name]
2-[4-(5-Acétyl-6-méthyl-2-oxo-1,2,3,4-tétrahydro-4-pyrimidinyl)-2-méthoxyphénoxy]-N'-[(Z)-{4-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]phényl}méthylène]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[4-(5-acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-4-pyrimidinyl)-2-methoxyphenoxy]-, 2-[(1Z)-[4-(4-tricyclo[3.3.1.13,7]dec-1-yl-2-thiazolyl)phenyl]methylene]hydrazide [ACD/Index 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: 1.713
Molar Refractivity: 179.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15661.50
ACD/KOC (pH 5.5): 35012.02
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15658.68
ACD/KOC (pH 7.4): 35005.71
Polar Surface Area: 159 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 456.8±7.0 cm3

Click to predict properties on the Chemicalize site


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