1-Piperazinecarboxylic acid, 4-[4-[[[5-(5-chloro-2-thienyl)-2-furanyl]carbonyl]amino]phenyl]-, 1,1-dimethylethyl ester
Basic information
- CAS
1314119-02-2- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)s4)o3)cc2)CC1- InChIKey
NAWWFIWGPOFVFN-UHFFFAOYSA-N- Molecular formula
- C24H26ClN3O4S
- Average molar mass
- 488 g/mol
- Monoisotopic mass
- 487.1332552
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-[4-[[[5-(5-chloro-2-thienyl)-2-furanyl]carbonyl]amino]phenyl]-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 4-[4-[[5-(5-chlorothiophen-2-yl)furan-2-carbonyl]amino]phenyl]piperazine-1-carboxylate
Names & synonyms
DTXSID3011055791-Piperazinecarboxylic acid, 4-[4-[[[5-(5-chloro-2-thienyl)-2-furanyl]carbonyl]amino]phenyl]-, 1,1-dimethylethyl ester1314119-02-2
Database identifiers
- CAS
1314119-02-2- PubChem CID
- 165367115
- DTXSID
DTXSID301105579
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 690
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