Found 1 result

Search term: HDKDXSZAJVZYLD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Amino-20,22-dimethyl-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 | C22H22N4O2S

4-Amino-20,22-dimethyl-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 FormulaC22H22N4O2S
  • Average mass406.501 Da
  • Monoisotopic mass406.146332 Da
  • ChemSpider ID28489796

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-20,22-dimethyl- [ACD/Index Name]
4-Amino-20,22-dimethyl-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-20,22-dimethyl-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-20,22-diméthyl-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]
VHC

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: 1.631
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 390.75
ACD/KOC (pH 5.5): 2493.65
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 390.91
ACD/KOC (pH 7.4): 2494.66
Polar Surface Area: 115 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 324.4±3.0 cm3

Click to predict properties on the Chemicalize site


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