N-1,2-Benzisoxazol-3-yl-4-(4-phenyl-2-thienyl)piperazine-1-carboxamide
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Basic information
- Standard SMILES
O=C(Nc1noc2ccccc12)N1CCN(c2cc(-c3ccccc3)cs2)CC1- InChIKey
XUJFRHWWFVTGAV-UHFFFAOYSA-N- Molecular formula
- C22H20N4O2S
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- N-1,2-Benzisoxazol-3-yl-4-(4-phenyl-2-thienyl)piperazine-1-carboxamide
- IUPAC
- N-(1,2-benzoxazol-3-yl)-4-(4-phenylthiophen-2-yl)piperazine-1-carboxamide
Names & synonyms
CHEMBL2326182SCHEMBL3770687XUJFRHWWFVTGAV-UHFFFAOYSA-NBDBM50426636N-1,2-Benzisoxazol-3-yl-4-(4-phenyl-2-thienyl)piperazine-1-carboxamide
Database identifiers
- PubChem CID
- 68779482
- ChEMBL
CHEMBL2326182
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 565
Related reactions
1 records
Compound notes
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