ChemSpider 2D Image | N-Cyclohexyl-2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]acetamide | C21H29N5O4

N-Cyclohexyl-2-[4-(5-ethyl-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 FormulaC21H29N5O4
  • Average mass415.486 Da
  • Monoisotopic mass415.221954 Da
  • ChemSpider ID34982725

More details:

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

N-Cyclohexyl-2-[4-(5-ethyl-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-Cyclohexyl-2-[4-(5-ethyl-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-Cyclohexyl-2-[4-(5-éthyl-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, N-cyclohexyl-4-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5,6,7,8,9-hexahydro-1,3-dioxo- [ACD/Index Name]
[1775350-76-9] [RN]
1775350-76-9 [RN]
BS-7913
MFCD28506531
N-cyclohexyl-2-[4-(5-ethyl-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.55
ACD/KOC (pH 5.5): 957.29
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.55
ACD/KOC (pH 7.4): 957.29
Polar Surface Area: 109 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 316.2±5.0 cm3

Click to predict properties on the Chemicalize site


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