Basic information
- CAS
590396-79-5- Standard SMILES
Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc5cccc(Cl)c5o4)ccc3o2)c1C- InChIKey
KBKVOHVSLQKBNY-UHFFFAOYSA-N- Molecular formula
- C25H18ClN3O3S
- Average molar mass
- 475.9 g/mol
- Monoisotopic mass
- 475.0757403
Names & identifiers
- Preferred name
- 7-chloro-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
- IUPAC
- 7-chloro-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
- English name
- 2-Benzofurancarboxamide,7-chloro-N-[[[2-(2,3-dimethylphenyl)-5-benzoxazolyl]amino]thioxomethyl]-(9CI)
- Molecular formula
- C25H18ClN3O3S
- Molecular weight
- 475.95
Names & synonyms
AKOS0023415132-Benzofurancarboxamide, 7-chloro-N-[[[2-(2,3-dimethylphenyl)-5-benzoxazolyl]amino]thioxomethyl]-2-Benzofurancarboxamide,7-chloro-N-[[[2-(2,3-dimethylphenyl)-5-benzoxazolyl]amino]thioxomethyl]-(9CI)
Database identifiers
- CAS
590396-79-5- PubChem CID
- 1497014
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 742
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…