Found 1 result

Search term: ZRQBUFWZLIUDMG-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 22-Methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine | C21H21N3O2S

22-Methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine

  • Molecular FormulaC21H21N3O2S
  • Average mass379.475 Da
  • Monoisotopic mass379.135437 Da
  • ChemSpider ID28492306

More details:

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

13,18-Dioxa-7-thia-3,5-diazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2,4,6(25),8,10,12(24),19,21-nonaen-4-amine, 22-methyl- [ACD/Index Name]
22-Methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amin [German] [ACD/IUPAC Name]
22-Methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine [ACD/IUPAC Name]
22-Méthyl-13,18-dioxa-7-thia-3,5-diazatétracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaén-4-amine [French] [ACD/IUPAC Name]
VHA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.7±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2636.79
ACD/KOC (pH 5.5): 9780.68
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2637.50
ACD/KOC (pH 7.4): 9783.27
Polar Surface Area: 96 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 306.6±3.0 cm3

Click to predict properties on the Chemicalize site


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