Basic information
- Standard SMILES
CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1- InChIKey
BVXBVMYTIQBMPV-UHFFFAOYSA-N- Molecular formula
- C26H24F3N3O3S
- Average molar mass
- 515.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-(4-(4-(2,3-Dihydro-benzo(1,4)dioxin-6-ylsulfanyl)-3-trifluoromethyl-phenyl)-pyridin-2-yl)-piperazin-1-yl)-ethanone
- IUPAC
- 1-[4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperazin-1-yl]ethanone
Names & synonyms
CHEMBL1823841-(4-(4-(4-(2,3-Dihydro-benzo(1,4)dioxin-6-ylsulfanyl)-3-trifluoromethyl-phenyl)-pyridin-2-yl)-piperazin-1-yl)-ethanone1-(4-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-3-trifluoromethyl-phenyl]-pyridin-2-yl}-piperazin-1-yl)-ethanoneSCHEMBL5423070BDBM50157425PD1478881-(4-(4-(4-(2,3-Dihydro-benzo(1,4)dioxin-6-ylsulfanyl)-3-trifluoromethyl-phenyl)-pyridin -2-yl)-piperazin-1-yl)-ethanone
Database identifiers
- PubChem CID
- 21906767
- ChEMBL
CHEMBL182384
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 752
Related reactions
2 records
Compound notes
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