ChemSpider 2D Image | AKI-001 | C21H24N4O

AKI-001

  • Molecular FormulaC21H24N4O
  • Average mass348.441 Da
  • Monoisotopic mass348.195007 Da
  • ChemSpider ID24682040

More details:






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

8-Ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(2H)-on [German] [ACD/IUPAC Name]
8-Ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(2H)-one [ACD/IUPAC Name]
8-Éthyl-3,10,10-triméthyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(2H)-one [French] [ACD/IUPAC Name]
925218-37-7 [RN]
AKI-001
LM7NL857V1
Pyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(2H)-one, 8-ethyl-4,5,6,8,10,12-hexahydro-3,10,10-trimethyl- [ACD/Index Name]
5-ethyl-7,7,16-trimethyl-5,11,14,15-tetraazapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁷]icosa-1(12),2(10),3,8,13(17),15-hexaen-6-one
5-ethyl-7,7,16-trimethyl-5,11,14,15-tetraazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
83H
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 691.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 372.0±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 475.70
ACD/KOC (pH 5.5): 2785.87
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 528.11
ACD/KOC (pH 7.4): 3092.82
Polar Surface Area: 65 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 276.7±3.0 cm3

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