Basic information
- Standard SMILES
Cc1cc2nc(N)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O- InChIKey
HRIUCRHUATXJQQ-INIZCTEOSA-N- Molecular formula
- C20H21ClN2O3S
- Average molar mass
- 404.9 g/mol
Names & identifiers
- Preferred name
- (S)-2-(2-amino-7-(4-chlorophenyl)-5-methylbenzo[d]thiazol-6-yl)-2-tert-butoxyacetic acid
- IUPAC
- (2S)-2-[2-amino-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
Names & synonyms
SCHEMBL15333411HRIUCRHUATXJQQ-INIZCTEOSA-N(S)-2-(2-amino-7-(4-chlorophenyl)-5-methylbenzo[d]thiazol-6-yl)-2-tert-butoxyacetic acid
Database identifiers
- PubChem CID
- 86699792
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
Related reactions
4 records
Compound notes
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