N-[5-({[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Basic information
- CAS
823831-08-9- Standard SMILES
O=C(Nc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1)c1ccccc1- InChIKey
DCTIUYHJSDDXCS-UHFFFAOYSA-N- Molecular formula
- C19H13ClN4O2S2
- Average molar mass
- 428.9 g/mol
- Monoisotopic mass
- 428.0168457
Names & identifiers
- Preferred name
- N-[5-({[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
- IUPAC
- N-[5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
Names & synonyms
823831-08-9N-[5-({[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamideN-[5-[[[2-(4-Chlorophenyl)-4-oxazolyl]methyl]thio]-1,3,4-thiadiazol-2-yl]benzamideDTXSID501131283STL291153AKOS002343861N-[5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamideN-[5-({[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl}thio)-1,3,4-thiadiazol-2-yl]benzamide
Database identifiers
- CAS
823831-08-9- PubChem CID
- 2220156
- DTXSID
DTXSID501131283
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…