Basic information
- Standard SMILES
O=C(NC1CCNCC1)C1=Cc2cnc3cccc(n23)S1- InChIKey
SLVMFBGHLNZSAD-UHFFFAOYSA-N- Molecular formula
- C15H16N4OS
- Average molar mass
- 300.4 g/mol
Names & identifiers
- Preferred name
- N-piperidin-4-yl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-6-carboxamide
- IUPAC
- N-piperidin-4-yl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-6-carboxamide
Database identifiers
- PubChem CID
- 21994155
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
Related reactions
3 records
Compound notes
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