Basic information
- Standard SMILES
COC(=O)c1ccc2c(c1)CCC2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1- InChIKey
POSCJFQJRRZETF-UHFFFAOYSA-N- Molecular formula
- C26H21F3N4O3S
- Average molar mass
- 526.5 g/mol
- Monoisotopic mass
- 526.1286462
Names & identifiers
- Preferred name
- methyl 1-hydroxy-1-(5-(4-methyl-6-((4-(trifluoromethyl)pyridin-2-yl)amino)pyridin-2-yl)thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylate
- IUPAC
- methyl 1-hydroxy-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylate
Names & synonyms
methyl 1-hydroxy-1-(5-(4-methyl-6-((4-(trifluoromethyl)pyridin-2-yl)amino)pyridin-2-yl)thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylateCHEMBL3698419SCHEMBL13727618BDBM127985US8796310, 16C
Database identifiers
- PubChem CID
- 70977987
- ChEMBL
CHEMBL3698419
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 822
Related reactions
2 records
Compound notes
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