Basic information
- Standard SMILES
CC(C)N1CCC(Oc2ccc(C3(C(N)=S)CCOCC3)cc2)CC1- InChIKey
XSQYJNVVQOKEPO-UHFFFAOYSA-N- Molecular formula
- C20H30N2O2S
- Average molar mass
- 362.5 g/mol
Names & identifiers
- Preferred name
- 4-{4-[(1-isopropylpiperidin-4-yl)oxy]phenyl}tetrahydro-2H-pyran-4-carbothioamide
- IUPAC
- 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxane-4-carbothioamide
Names & synonyms
SCHEMBL3270738XSQYJNVVQOKEPO-UHFFFAOYSA-N4-{4-[(1-isopropylpiperidin-4-yl)oxy]phenyl}tetrahydro-2H-pyran-4-carbothioamide
Database identifiers
- PubChem CID
- 86601902
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Related reactions
3 records
Compound notes
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