Basic information
- Standard SMILES
Cc1ccc(-c2nsc(N3CCN(C(=O)Nc4noc5ccccc45)CC3)n2)cc1- InChIKey
LSDATFHTEQNUTA-UHFFFAOYSA-N- Molecular formula
- C21H20N6O2S
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.13684508
Names & identifiers
- Preferred name
- N-1,2-Benzisoxazol-3-yl-4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
- IUPAC
- N-(1,2-benzoxazol-3-yl)-4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
Names & synonyms
SCHEMBL3769643LSDATFHTEQNUTA-UHFFFAOYSA-NN-1,2-Benzisoxazol-3-yl-4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
Database identifiers
- PubChem CID
- 68779121
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 596
Related reactions
2 records
Compound notes
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