Basic information
- Standard SMILES
CC(O)c1cnc(-c2ccc(C(CC3CCOCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)[nH]2)s1- InChIKey
HHZCFGYVBBSXNK-UHFFFAOYSA-N- Molecular formula
- C23H27ClN2O4S2
- Average molar mass
- 495.1 g/mol
Names & identifiers
- Preferred name
- 1-[2-(5-{1-[3-chloro-4-(methylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol
- IUPAC
- 1-[2-[5-[1-(3-chloro-4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-1,3-thiazol-5-yl]ethanol
Names & synonyms
SCHEMBL2896823HHZCFGYVBBSXNK-UHFFFAOYSA-N1-[2-(5-{1-[3-chloro-4-(methylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol
Database identifiers
- PubChem CID
- 25106981
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 715
Related reactions
1 records
Compound notes
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