Basic information
- Standard SMILES
CCOC(=O)N1CCN(C(C)c2nnn(-c3cccc(Cl)c3)n2)CC1- InChIKey
CLJVAJIVLWFAJD-UHFFFAOYSA-N- Molecular formula
- C16H21ClN6O2
- Average molar mass
- 364.8 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-{1-[2-(3-chlorophenyl)-2H-tetrazol-5-yl]ethyl}piperazine-1-carboxylate
- IUPAC
- ethyl 4-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL2889476CLJVAJIVLWFAJD-UHFFFAOYSA-NEthyl 4-{1-[2-(3-chlorophenyl)-2H-tetrazol-5-yl]ethyl}piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 68429673
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
Loading…