Basic information
- Standard SMILES
CNS(=O)(=O)c1ccc(-c2ccc3oc(C4CCN(C(=O)OC(C)C)CC4)nc3c2)cc1- InChIKey
MSELFOONQKMHPO-UHFFFAOYSA-N- Molecular formula
- C23H27N3O5S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.16714214
Names & identifiers
- Preferred name
- Isopropyl 4-{5-[4-(N-methylsulfamoyl)phenyl]benzo[d]oxazol-2-yl}piperidine-1-carboxylate
- IUPAC
- propan-2-yl 4-[5-[4-(methylsulfamoyl)phenyl]-1,3-benzoxazol-2-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL14695636MSELFOONQKMHPO-UHFFFAOYSA-NIsopropyl 4-{5-[4-(N-methylsulfamoyl)phenyl]benzo[d]oxazol-2-yl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 71257385
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 739
Related reactions
1 records
Compound notes
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