Basic information
- Standard SMILES
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
KQCMNEVSEBDCSV-UHFFFAOYSA-N- Molecular formula
- C46H43FN4O8
- Average molar mass
- 798.9 g/mol
Names & identifiers
- Preferred name
- 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate]
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Names & synonyms
SCHEMBL1942557KQCMNEVSEBDCSV-UHFFFAOYSA-N3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate]
Database identifiers
- PubChem CID
- 9832248
Properties
Computed structural properties
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
1 records
Compound notes
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