Basic information
- Standard SMILES
Cl.Cl.O=C(NCC1CCN(CCOc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1- InChIKey
HRWRLBRDVDXGQW-UHFFFAOYSA-N- Molecular formula
- C24H28Cl2N4O2S
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 506.1310027
Names & identifiers
- Preferred name
- n-[1-(2-Phenoxyethan-1-yl)piperidin-4-ylmethyl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide dihydrochloride
- IUPAC
- N-[[1-(2-phenoxyethyl)piperidin-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
SCHEMBL7983742HRWRLBRDVDXGQW-UHFFFAOYSA-NN-[1-(2-phenoxyethan-1-yl)piperidin-4-yl-methyl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide Dihydrochloriden-[1-(2-phenoxyethan-1-yl)piperidin-4-ylmethyl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide dihydrochloride
Database identifiers
- PubChem CID
- 21993901
Properties
Computed structural properties
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
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