Found 170 results

Search term: MF = 'C_{21}H_{17}FN_{4}O_{2}S_{2}'
ChemSpider 2D Image | 4-(4-Fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one | C21H17FN4O2S2

4-(4-Fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

  • Molecular FormulaC21H17FN4O2S2
  • Average mass440.514 Da
  • Monoisotopic mass440.077698 Da
  • ChemSpider ID22751900

More details:

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

1H-Pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-fluorophenyl)-4,8-dihydro-1-(6-methoxy-2-benzothiazolyl)-3-methyl- [ACD/Index Name]
4-(4-Fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one [ACD/IUPAC Name]
4-(4-Fluorophényl)-1-(6-méthoxy-1,3-benzothiazol-2-yl)-3-méthyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazépin-7(6H)-one [French] [ACD/IUPAC Name]
4-(4-Fluorphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-on [German] [ACD/IUPAC Name]
4-(4-Fluoro-phenyl)-1-(6-methoxy-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
4-(4-fluorophenyl)-1-(6-methoxybenzothiazol-2-yl)-3-methyl-4H,6H,8H-pyrazolo[5,4-e]1,4-thiazepin-7-one

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: 1.752
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 415.07
ACD/KOC (pH 5.5): 2604.07
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.06
ACD/KOC (pH 7.4): 2604.00
Polar Surface Area: 123 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 286.7±7.0 cm3

Click to predict properties on the Chemicalize site


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