Basic information
- Standard SMILES
OCC1CCCN1c1cc(-c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)ccn1- InChIKey
BYQWOSKTUPJKFV-UHFFFAOYSA-N- Molecular formula
- C25H23F3N2O3S
- Average molar mass
- 488.5 g/mol
Names & identifiers
- Preferred name
- (1-(4-(4-(2,3-Dihydro-benzo(1,4)dioxin-6-ylsulfanyl)-3-trifluoromethyl-phenyl)-pyridin-2-yl)-pyrrolidin-2-yl)-methanol
- IUPAC
- [1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-2-yl]methanol
Names & synonyms
(1-(4-(4-(2,3-Dihydro-benzo(1,4)dioxin-6-ylsulfanyl)-3-trifluoromethyl-phenyl)-pyridin-2-yl)-pyrrolidin-2-yl)-methanolSCHEMBL5423094PD146491(1-(4-(4-(2,3-Dihydro-benzo(1,4)dioxin-6-ylsulfanyl)-3-trifluoromethyl-phenyl)-pyridin -2-yl)-pyrrolidin-2-yl)-methanol
Database identifiers
- PubChem CID
- 21906744
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 672
Related reactions
2 records
Compound notes
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