Basic information
- Standard SMILES
COC(=O)CCNC(=O)C1CN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(C(F)(F)F)cc4C(F)(F)F)c3)S2)C1- InChIKey
GFAWWNILEBEHST-UHFFFAOYSA-N- Molecular formula
- C28H23F6N5O4S
- Average molar mass
- 639.6 g/mol
- Monoisotopic mass
- 639.13749438
Names & identifiers
- Preferred name
- 3-[(1-{5-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-azetidine-3-carbonyl)-amino]-propionic acid methyl ester
- IUPAC
- methyl 3-[[1-[5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]azetidine-3-carbonyl]amino]propanoate
Names & synonyms
3-[(1-{5-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-azetidine-3-carbonyl)-amino]-propionic acid methyl esterSCHEMBL1998277
Database identifiers
- PubChem CID
- 76756402
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
2 records
Compound notes
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