Found 1 result

Search term: FLKKRILCGIEOOD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 20,22-Dichloro-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 | C20H17Cl2N3O2S

20,22-Dichloro-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 FormulaC20H17Cl2N3O2S
  • Average mass434.339 Da
  • Monoisotopic mass433.041840 Da
  • ChemSpider ID28492807

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, 20,22-dichloro- [ACD/Index Name]
20,22-Dichlor-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]
20,22-Dichloro-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]
20,22-Dichloro-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]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 678.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.3±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16310.16
ACD/KOC (pH 5.5): 36046.32
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16310.66
ACD/KOC (pH 7.4): 36047.43
Polar Surface Area: 96 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 314.2±3.0 cm3

Click to predict properties on the Chemicalize site


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