Basic information
- Standard SMILES
C=CCn1c(=O)sc2cc(Cl)c(-n3nc(C(C)(C)C)oc3=O)cc21- InChIKey
MJTAIVGDZBOURJ-UHFFFAOYSA-N- Molecular formula
- C16H16ClN3O3S
- Average molar mass
- 365.8 g/mol
Names & identifiers
- Preferred name
- 3-[6-chloro-3-(2-propenyl)-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 5-tert-butyl-3-(6-chloro-2-oxo-3-prop-2-enyl-1,3-benzothiazol-5-yl)-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL9378035MJTAIVGDZBOURJ-UHFFFAOYSA-N3-[6-chloro-3-(2-propenyl)-2(3H)-benzothiazolon-5-yl] -5-(1,1-dimethylethyl)-1,3,4-oxadiazol -2(3H)-one3-[6-chloro-3-(2-propenyl)-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
Database identifiers
- PubChem CID
- 14280650
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 604
Related reactions
3 records
Compound notes
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