Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3ccc(-n4cnnn4)cc3)cs2)CC1- InChIKey
ICAXTIAPGWTMAP-UHFFFAOYSA-N- Molecular formula
- C21H25N7O3S
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- 4-[4-(4-Tetrazol-1-yl-phenylcarbamoyl)-thiazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3488304ICAXTIAPGWTMAP-UHFFFAOYSA-N4-[4-(4-Tetrazol-1-yl-phenylcarbamoyl)-thiazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57986930
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 660
Related reactions
7 records
Compound notes
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