Basic information
- Standard SMILES
O=C1N=C(N2CCOCC2)SC1=Cc1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1- InChIKey
ZUHFCJNGKMSSMR-UHFFFAOYSA-N- Molecular formula
- C24H18F6N4O2S
- Average molar mass
- 540.5 g/mol
- Monoisotopic mass
- 540.10546598
Names & identifiers
- Preferred name
- 5-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-morpholin-4-yl-thiazol-4-one
- IUPAC
- 5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
Names & synonyms
5-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-morpholin-4-yl-thiazol-4-oneSCHEMBL1997631
Database identifiers
- PubChem CID
- 86654544
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 920
Related reactions
3 records
Compound notes
Loading…