Basic information
- CAS
354552-26-4- Standard SMILES
CC(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1- InChIKey
MFDPKLQEDCBTSI-UHFFFAOYSA-N- Molecular formula
- C16H19N3O2S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.11979803
Names & identifiers
- Preferred name
- Cyclohexanecarboxamide, N-[6-(acetylamino)-2-benzothiazolyl]-
- IUPAC
- N-(6-acetamido-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
Names & synonyms
354552-26-4N-(6-acetamido-1,3-benzothiazol-2-yl)cyclohexanecarboxamideCyclohexanecarboxamide, N-[6-(acetylamino)-2-benzothiazolyl]-Oprea1_576268Oprea1_678809CHEMBL187203DTXSID70351733AKOS001614949CCG-108448EU-0007492AM-760/15122012SR-01000456428
Show more names
SR-01000456428-1N-[6-(acetylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
Database identifiers
- CAS
354552-26-4- PubChem CID
- 708233
- DTXSID
DTXSID70351733- ChEMBL
CHEMBL187203
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…