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Basic information
- Standard SMILES
Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C)oc6c(Br)c5CC4)n3C)cccc2n1- InChIKey
MLGRCKZMFCALCK-UHFFFAOYSA-N- Molecular formula
- C29H31BrN6OS
- Average molar mass
- 591.6 g/mol
- Monoisotopic mass
- 590.14634
Names & identifiers
- Preferred name
- 10-Bromo-2-methyl-7-[4-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]butyl]-5,6,8,9-tetrahydro-[1,3]oxazolo[4,5-h][3]benzazepine
- IUPAC
- 10-bromo-2-methyl-7-[4-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]butyl]-5,6,8,9-tetrahydro-[1,3]oxazolo[4,5-h][3]benzazepine
Names & synonyms
CHEMBL271072SCHEMBL2311082BDBM50411663
Database identifiers
- PubChem CID
- 11664328
- ChEMBL
CHEMBL271072
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 781
Related reactions
1 records
Compound notes
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