Basic information
- Standard SMILES
CC(C)CC(NC(c1ccc(Br)cc1)c1nccs1)C(=O)O- InChIKey
BNRZRXAYKTUDGP-UHFFFAOYSA-N- Molecular formula
- C16H19BrN2O2S
- Average molar mass
- 383.3 g/mol
Names & identifiers
- Preferred name
- 2-[[(4-Bromophenyl)-(1,3-thiazol-2-yl)methyl]amino]-4-methylpentanoic acid
- IUPAC
- 2-[[(4-bromophenyl)-(1,3-thiazol-2-yl)methyl]amino]-4-methylpentanoic acid
Names & synonyms
SCHEMBL5742799
Database identifiers
- PubChem CID
- 69550892
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Related reactions
1 records
Compound notes
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