ChemSpider 2D Image | N-(2-Methoxy-5-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]acetamide | C22H25N5O5

N-(2-Methoxy-5-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]acetamide

  • Molecular FormulaC22H25N5O5
  • Average mass439.464 Da
  • Monoisotopic mass439.185577 Da
  • ChemSpider ID34982838

More details:

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

N-(2-Methoxy-5-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]acetamid [German] [ACD/IUPAC Name]
N-(2-Methoxy-5-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]acetamide [ACD/IUPAC Name]
N-(2-Méthoxy-5-méthylphényl)-2-[4-(5-méthyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azépin-2(1H)-yl]acétamide [French] [ACD/IUPAC Name]
Pyrimido[1,6-a]azepine-2(1H)-acetamide, 3,5,6,7,8,9-hexahydro-N-(2-methoxy-5-methylphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo- [ACD/Index Name]
[1775340-32-3] [RN]
1775340-32-3 [RN]
BS-8497
MFCD28805972
N-(2-methoxy-5-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide

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: 1.632
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.96
ACD/KOC (pH 5.5): 513.54
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.97
ACD/KOC (pH 7.4): 513.60
Polar Surface Area: 118 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 317.4±5.0 cm3

Click to predict properties on the Chemicalize site


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