Found 1 result

Search term: PGRSEHXQPITUAU-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Benzyl-1,2,3,4-tetrahydro[1]benzothieno[2,3-h]isoquinoline 2-oxide | C22H19NOS

2-Benzyl-1,2,3,4-tetrahydro[1]benzothieno[2,3-h]isoquinoline 2-oxide

  • Molecular FormulaC22H19NOS
  • Average mass345.457 Da
  • Monoisotopic mass345.118744 Da
  • ChemSpider ID23112382

More details:

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

[1]Benzothieno[2,3-h]isoquinoline, 1,2,3,4-tetrahydro-2-(phenylmethyl)-, 2-oxide [ACD/Index Name]
2-Benzyl-1,2,3,4-tetrahydro[1]benzothieno[2,3-h]isochinolin-2-oxid [German] [ACD/IUPAC Name]
2-Benzyl-1,2,3,4-tetrahydro[1]benzothieno[2,3-h]isoquinoline 2-oxide [ACD/IUPAC Name]
2-Oxyde de 2-benzyl-1,2,3,4-tétrahydro[1]benzothiéno[2,3-h]isoquinoléine [French] [ACD/IUPAC Name]
2-Benzyl-3,4-dihydro-1H-7-thia-2-aza-benzo[c]fluorene 2-oxide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL418344/

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 553.21
ACD/KOC (pH 5.5): 3075.97
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 633.60
ACD/KOC (pH 7.4): 3523.01
Polar Surface Area: 45 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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