Found 1 result

Search term: KQLVKINWYAUYRA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Amino-20-ethoxy-22-methyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one | C23H24N4O3S

4-Amino-20-ethoxy-22-methyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one

  • Molecular FormulaC23H24N4O3S
  • Average mass436.527 Da
  • Monoisotopic mass436.156921 Da
  • ChemSpider ID28489217

More details:

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

13-Oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2,4,6(25),8,10,12(24),19,21-nonaen-18-one, 4-amino-20-ethoxy-22-methyl- [ACD/Index Name]
4-Amino-20-ethoxy-22-methyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-on [German] [ACD/IUPAC Name]
4-Amino-20-ethoxy-22-methyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one [ACD/IUPAC Name]
4-Amino-20-éthoxy-22-méthyl-13-oxa-7-thia-3,5,17-triazatétracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaén-18-one [French] [ACD/IUPAC Name]

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: 1.617
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.02
ACD/KOC (pH 5.5): 1857.91
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 259.11
ACD/KOC (pH 7.4): 1858.59
Polar Surface Area: 125 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 348.6±3.0 cm3

Click to predict properties on the Chemicalize site


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