ChemSpider 2D Image | N-(2-Methoxyphenyl)-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 | C21H23N5O5

N-(2-Methoxyphenyl)-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 FormulaC21H23N5O5
  • Average mass425.438 Da
  • Monoisotopic mass425.169922 Da
  • ChemSpider ID34982779

More details:

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

N-(2-Methoxyphenyl)-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-Methoxyphenyl)-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-Méthoxyphényl)-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-methoxyphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo- [ACD/Index Name]
[1775354-09-0] [RN]
1775354-09-0 [RN]
BS-8191
MFCD28506566
N-(2-methoxyphenyl)-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: 1.639
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.95
ACD/KOC (pH 5.5): 263.93
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.95
ACD/KOC (pH 7.4): 263.96
Polar Surface Area: 118 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 301.8±5.0 cm3

Click to predict properties on the Chemicalize site


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