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Search term: AZTMYWWWILJAKW-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | compound 25 [PMID: 17935989] | C20H18ClN7O3S

compound 25 [PMID: 17935989]

  • Molecular FormulaC20H18ClN7O3S
  • Average mass471.920 Da
  • Monoisotopic mass471.088043 Da
  • ChemSpider ID23309699

More details:

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

(1Z)-7-Chlor-3-oxo-8-[(1,3-thiazol-5-ylmethyl)amino]-11,16-dioxa-2,4,19,21-tetraazatricyclo[15.3.1.05,10]henicosa-1,5,7,9,17,19-hexaen-18-carbonitril [German] [ACD/IUPAC Name]
(1Z)-7-Chloro-3-oxo-8-[(1,3-thiazol-5-ylmethyl)amino]-11,16-dioxa-2,4,19,21-tetraazatricyclo[15.3.1.05,10]henicosa-1,5,7,9,17,19-hexaene-18-carbonitrile [ACD/IUPAC Name]
(1Z)-7-Chloro-3-oxo-8-[(1,3-thiazol-5-ylméthyl)amino]-11,16-dioxa-2,4,19,21-tétraazatricyclo[15.3.1.05,10]hénicosa-1,5,7,9,17,19-hexaène-18-carbonitrile [French] [ACD/IUPAC Name]
17-chloro-2-oxo-16-[(1,3-thiazol-5-ylmethyl)amino]-2,3,10,11,12,13-hexahydro-1H-8,4-(azeno)-9,14,1,3,6-benzodioxatriazacyclohexadecine-7-carbonitrile
1H-8,4-Nitrilo-9,14,1,3,6-benzodioxatriazacyclohexadecine-7-carbonitrile, 17-chloro-2,3,10,11,12,13-hexahydro-2-oxo-16-[(5-thiazolylmethyl)amino]- [ACD/Index Name]
compound 25 [PMID: 17935989]
7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(21),5,7,9,17,19-hexaene-18-crbonitrile
CHEMBL248757
compound 25 [PMID 17935989]
Kinome_2918

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

Density: 1.5±0.1 g/cm3
Boiling Point: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±31.5 °C
Index of Refraction: 1.687
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 321.40
ACD/KOC (pH 5.5): 2165.03
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 322.99
ACD/KOC (pH 7.4): 2175.80
Polar Surface Area: 162 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 87.9±5.0 dyne/cm
Molar Volume: 308.2±5.0 cm3

Click to predict properties on the Chemicalize site


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