Basic information
- Standard SMILES
O=C(Nc1noc2ccccc12)N1CCN(c2nc(N3CCOCC3)ns2)CC1- InChIKey
PLIJYBLVANWDQL-UHFFFAOYSA-N- Molecular formula
- C18H21N7O3S
- Average molar mass
- 415.5 g/mol
Names & identifiers
- Preferred name
- N-1,2-Benzisoxazol-3-yl-4-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
- IUPAC
- N-(1,2-benzoxazol-3-yl)-4-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
Names & synonyms
SCHEMBL3774604PLIJYBLVANWDQL-UHFFFAOYSA-NN-1,2-Benzisoxazol-3-yl-4-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
Database identifiers
- PubChem CID
- 68781122
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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