N-(1-benzylpiperidin-4-ylmethyl)-5-thia-1,8b-diazaacenaphthylene-4-carboxamide Dihydrochloride
Basic information
- Standard SMILES
Cl.Cl.O=C(NCC1CCN(Cc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1- InChIKey
PULKISTZRYVFRG-UHFFFAOYSA-N- Molecular formula
- C23H26Cl2N4OS
- Average molar mass
- 477.4 g/mol
Names & identifiers
- Preferred name
- N-(1-benzylpiperidin-4-ylmethyl)-5-thia-1,8b-diazaacenaphthylene-4-carboxamide Dihydrochloride
- IUPAC
- N-[(1-benzylpiperidin-4-yl)methyl]-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-6-carboxamide;dihydrochloride
Names & synonyms
SCHEMBL7983228PULKISTZRYVFRG-UHFFFAOYSA-NN-(1-benzylpiperidin-4-ylmethyl)-5-thia-1,8b-diazaacenaphthylene-4-carboxamide Dihydrochloride
Database identifiers
- PubChem CID
- 21994005
Properties
Computed structural properties
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 612
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Related reactions
1 records
Compound notes
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