N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
Basic information
- CAS
5533-14-2- Standard SMILES
CC(C)COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1- InChIKey
RSDBTYGQYJAUAQ-UHFFFAOYSA-N- Molecular formula
- C24H22N2O2S
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.14019912
Names & identifiers
- Preferred name
- N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
- IUPAC
- N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
Names & synonyms
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamideSTK0086775533-14-2Oprea1_095780DTXSID90411585AKOS001650289AN-465/12695048N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-isobutoxybenzamide
Database identifiers
- CAS
5533-14-2- PubChem CID
- 5228077
- DTXSID
DTXSID90411585
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 535
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Compound notes
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