tert-Butyl 2-((2-(7-amino-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethyl)(methyl)amino)acetate
Basic information
- Standard SMILES
CN(CCN1CCSc2cc(N)ccc21)CC(=O)OC(C)(C)C- InChIKey
OFJGCJLDSWJBLY-UHFFFAOYSA-N- Molecular formula
- C17H27N3O2S
- Average molar mass
- 337.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 2-((2-(7-amino-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethyl)(methyl)amino)acetate
- IUPAC
- tert-butyl 2-[2-(7-amino-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl-methylamino]acetate
Names & synonyms
SCHEMBL499396OFJGCJLDSWJBLY-UHFFFAOYSA-Ntert-Butyl 2-((2-(7-amino-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethyl)(methyl)amino)acetate
Database identifiers
- PubChem CID
- 59144141
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Related reactions
5 records
Compound notes
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