N-(2-(piperidin-1-yl)ethyl)-4-(benzoxazol-2-yl)-2-nitroaniline
Basic information
- Standard SMILES
O=[N+]([O-])c1cc(-c2nc3ccccc3o2)ccc1NCCN1CCCCC1- InChIKey
AHASJGZCDVKRGA-UHFFFAOYSA-N- Molecular formula
- C20H22N4O3
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.16919058
Names & identifiers
- Preferred name
- N-(2-(piperidin-1-yl)ethyl)-4-(benzoxazol-2-yl)-2-nitroaniline
- IUPAC
- 4-(1,3-benzoxazol-2-yl)-2-nitro-N-(2-piperidin-1-ylethyl)aniline
Names & synonyms
SCHEMBL2689191AHASJGZCDVKRGA-UHFFFAOYSA-NN-(2-(piperidin-1-yl)ethyl)-4-(benzoxazol-2-yl)-2-nitroaniline
Database identifiers
- PubChem CID
- 67499079
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Related reactions
1 records
Compound notes
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