Basic information
- Standard SMILES
CC(C)c1cc([N+](=O)[O-])c(O)c(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1- InChIKey
GYOZAOUYYVHTRV-UHFFFAOYSA-N- Molecular formula
- C27H35N5O5S
- Average molar mass
- 541.7 g/mol
Names & identifiers
- Preferred name
- 2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-N-(2,6-diisopropyl-3-hydroxy-4-nitrophenyl)acetamide
- IUPAC
- 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[3-hydroxy-4-nitro-2,6-di(propan-2-yl)phenyl]acetamide
Names & synonyms
SCHEMBL6280637GYOZAOUYYVHTRV-UHFFFAOYSA-N2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-n-(2,6-diisopropyl-3-hydroxy-4-nitro phenyl)acetamide2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-N-(2,6-diisopropyl-3-hydroxy-4-nitrophenyl)acetamide
Database identifiers
- PubChem CID
- 22272863
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 790
Related reactions
1 records
Compound notes
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