Found 241 results

Search term: MF = 'C_{23}H_{39}N_{5}O'
ChemSpider 2D Image | N-Butyl-2-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N-(1-ethyl-4-piperidinyl)acetamide | C23H39N5O

N-Butyl-2-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N-(1-ethyl-4-piperidinyl)acetamide

  • Molecular FormulaC23H39N5O
  • Average mass401.589 Da
  • Monoisotopic mass401.315460 Da
  • ChemSpider ID53597276

More details:

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

5H-1,2,4-Triazolo[4,3-a]azepine-7-acetamide, N-butyl-3-cyclopropyl-N-(1-ethyl-4-piperidinyl)-6,7,8,9-tetrahydro- [ACD/Index Name]
N-Butyl-2-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N-(1-ethyl-4-piperidinyl)acetamid [German] [ACD/IUPAC Name]
N-Butyl-2-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N-(1-ethyl-4-piperidinyl)acetamide [ACD/IUPAC Name]
N-Butyl-2-(3-cyclopropyl-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-7-yl)-N-(1-éthyl-4-pipéridinyl)acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 588.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.8±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 116.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 23.81
Polar Surface Area: 54 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 325.9±7.0 cm3

Click to predict properties on the Chemicalize site


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