N-[1-[3-(2-methoxycarbonylphenoxy)propan-1-yl]piperidin-4-yl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide dihydrochloride
Basic information
- Standard SMILES
COC(=O)c1ccccc1OCCCN1CCC(NC(=O)C2=Cc3cnc4cccc(n34)S2)CC1.Cl.Cl- InChIKey
ZXZRWSRLUYSDME-UHFFFAOYSA-N- Molecular formula
- C26H30Cl2N4O4S
- Average molar mass
- 565.5 g/mol
- Monoisotopic mass
- 564.136482
Names & identifiers
- Preferred name
- N-[1-[3-(2-methoxycarbonylphenoxy)propan-1-yl]piperidin-4-yl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide dihydrochloride
- IUPAC
- methyl 2-[3-[4-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-6-carbonylamino)piperidin-1-yl]propoxy]benzoate;dihydrochloride
Names & synonyms
SCHEMBL7986211ZXZRWSRLUYSDME-UHFFFAOYSA-NN-[1-[3-(2-methoxycarbonylphenoxy)propan-1-yl]piperidin-4-yl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide dihydrochloride
Database identifiers
- PubChem CID
- 21994086
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 787
Related reactions
1 records
Compound notes
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