Basic information
- Standard SMILES
Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1- InChIKey
FMLJGBDOSCBJBZ-UHFFFAOYSA-N- Molecular formula
- C25H22F3N5OS
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 497.149716
Names & identifiers
- Preferred name
- 2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cyclopropyl}-4-[4-(trifluoromethyl)benzyl]thiophene-3-carboxamide
- IUPAC
- 2,5-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]cyclopropyl]-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
Names & synonyms
CHEMBL5981982,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cyclopropyl}-4-[4-(trifluoromethyl)benzyl]thiophene-3-carboxamideSCHEMBL2351426BDBM144440BDBM50308132US8969394, 14
Database identifiers
- PubChem CID
- 24952928
- ChEMBL
CHEMBL598198
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 750
Related reactions
2 records
Compound notes
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