Basic information
- Standard SMILES
CCN(C1(C(=O)NCc2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)CC1)S(=O)(=O)c1ccc(Cl)s1- InChIKey
KCDBNCLLABNOKI-UHFFFAOYSA-N- Molecular formula
- C23H21ClF3N3O4S2
- Average molar mass
- 560 g/mol
Names & identifiers
- Preferred name
- 1-[(5-chloro-2-thienyl)sulfonyl-ethyl-amino]-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridyl]methyl]cyclopropanecarboxamide
- IUPAC
- 1-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide
Names & synonyms
1-[(5-chloro-2-thienyl)sulfonyl-ethyl-amino]-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridyl]methyl]cyclopropanecarboxamideSCHEMBL16005077
Database identifiers
- PubChem CID
- 90384372
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 877
Related reactions
1 records
Compound notes
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