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Search term: KCOHHLPXBXNCIJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(4-Pyrimidinylamino)-N-[7-(trifluoromethyl)-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-2-yl]benzamide | C23H16F3N5O2S

4-(4-Pyrimidinylamino)-N-[7-(trifluoromethyl)-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-2-yl]benzamide

  • Molecular FormulaC23H16F3N5O2S
  • Average mass483.466 Da
  • Monoisotopic mass483.097687 Da
  • ChemSpider ID23307317

More details:

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

4-(4-Pyrimidinylamino)-N-[7-(trifluormethyl)-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-2-yl]benzamid [German] [ACD/IUPAC Name]
4-(4-Pyrimidinylamino)-N-[7-(trifluoromethyl)-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-2-yl]benzamide [ACD/IUPAC Name]
4-(4-Pyrimidinylamino)-N-[7-(trifluorométhyl)-4,5-dihydro[1]benzoxépino[5,4-d][1,3]thiazol-2-yl]benzamide [French] [ACD/IUPAC Name]
4-(pyrimidin-4-ylamino)-N-[7-(trifluoromethyl)-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-2-yl]benzamide
Benzamide, N-[4,5-dihydro-7-(trifluoromethyl)[1]benzoxepino[5,4-d]thiazol-2-yl]-4-(4-pyrimidinylamino)- [ACD/Index Name]
4-(pyrimidin-4-ylamino)-N-(7-trifluoromethyl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-yl)-benzamide
CHEMBL245795

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 121.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1831.18
ACD/KOC (pH 5.5): 7255.61
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 666.14
ACD/KOC (pH 7.4): 2639.42
Polar Surface Area: 117 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 322.4±3.0 cm3

Click to predict properties on the Chemicalize site


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