3-butoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Basic information
- CAS
6461-44-5- Standard SMILES
CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)c1- InChIKey
GOHZAGGAQFNQES-UHFFFAOYSA-N- Molecular formula
- C25H23N3O3S
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.14601278
Names & identifiers
- Preferred name
- 3-butoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
- IUPAC
- 3-butoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Names & synonyms
3-butoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamideSTK1805026461-44-5DTXSID20367763AKOS0032212613-butoxy-N-{[(2-phenyl-1,3-benzoxazol-5-yl)amino]carbonothioyl}benzamide
Database identifiers
- CAS
6461-44-5- PubChem CID
- 2284511
- DTXSID
DTXSID20367763
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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