Basic information
- Standard SMILES
Cc1cc(N2CCOCC2)c(NC(=O)CN2CCN(CCSc3nc4ccccc4o3)CC2)c(N2CCOCC2)n1- InChIKey
QNWUKJGSDBWBJC-UHFFFAOYSA-N- Molecular formula
- C29H39N7O4S
- Average molar mass
- 581.7 g/mol
Names & identifiers
- Preferred name
- 2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(morpholino)-6-methylpyridin-3-yl]acetamide
- IUPAC
- 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(6-methyl-2,4-dimorpholin-4-yl-3-pyridinyl)acetamide
Names & synonyms
SCHEMBL4507782QNWUKJGSDBWBJC-UHFFFAOYSA-N2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(morpholino)-6-methylpyridin-3-yl]acetamide
Database identifiers
- PubChem CID
- 21087339
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 825
Related reactions
3 records
Compound notes
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