Basic information
- CAS
546116-42-1- Standard SMILES
CCOc1ccc2nc(NC(=O)CCC3CCCC3)sc2c1- InChIKey
NFAYKADVKDUGBW-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.14019912
Names & identifiers
- Preferred name
- 3-cyclopentyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
- IUPAC
- 3-cyclopentyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
- English name
- 3-cyclopentyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
- Molecular formula
- C17H22N2O2S
- Molecular weight
- 318.43378
Names & synonyms
3-cyclopentyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamideAKOS003800650AN-652/42568576
Database identifiers
- CAS
546116-42-1- PubChem CID
- 837277
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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