Basic information
- Standard SMILES
Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6onc(C)c6cc5CC4)n3C)cccc2n1.Cl- InChIKey
BOJGQQJXWURYEN-UHFFFAOYSA-N- Molecular formula
- C28H31ClN6OS
- Average molar mass
- 535.1 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-7-(3-{[4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl]thio}propyl)-6,7,8,9-tetrahydro-5H-isoxazolo[4,5-h][3]benzazepine hydrochloride
- IUPAC
- 3-methyl-7-[3-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-5,6,8,9-tetrahydro-[1,2]oxazolo[5,4-h][3]benzazepine;hydrochloride
Names & synonyms
SCHEMBL2309436BOJGQQJXWURYEN-UHFFFAOYSA-N3-Methyl-7-(3-{[4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl]thio}propyl)-6,7,8,9-tetrahydro-5H-isoxazolo[4,5-h][3]benzazepine hydrochloride
Database identifiers
- PubChem CID
- 67358552
Properties
Computed structural properties
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 730
Related reactions
1 records
Compound notes
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