Basic information
- Standard SMILES
CCCCC(NC(=O)C(C)Nc1nc2ccccc2s1)C(=O)OC- InChIKey
LMRRUYPGUJMAIS-UHFFFAOYSA-N- Molecular formula
- C17H23N3O3S
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]hexanoate
- IUPAC
- methyl 2-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]hexanoate
Names & synonyms
SCHEMBL7671786
Database identifiers
- PubChem CID
- 76095129
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Related reactions
1 records
Compound notes
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