Basic information
- Standard SMILES
Nc1ccc2nc(N3CCN(C(=O)OCc4ccccc4)CC3)sc2c1- InChIKey
HDTRCHBXXZAWTR-UHFFFAOYSA-N- Molecular formula
- C19H20N4O2S
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.13069707
Names & identifiers
- Preferred name
- 4-(6-Aminobenzothiazol-2-yl)piperazine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 4-(6-amino-1,3-benzothiazol-2-yl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL3913431HDTRCHBXXZAWTR-UHFFFAOYSA-N4-(6-Aminobenzothiazol-2-yl)piperazine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 15027802
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 480
Related reactions
2 records
Compound notes
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