Basic information
- Standard SMILES
CC(C)OCCN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)c1- InChIKey
FIQKAZXYYFWFIN-UHFFFAOYSA-N- Molecular formula
- C29H40ClN3O4
- Average molar mass
- 530.1 g/mol
- Monoisotopic mass
- 529.2707345
Names & identifiers
- Preferred name
- 1-{3-[N-(2-isopropyloxyethyl)-N-tert-butoxycarbonylamino]benzoyl}-4-[2-(4-chlorophenyl)ethyl]piperazine
- IUPAC
- tert-butyl N-[3-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-N-(2-propan-2-yloxyethyl)carbamate
Names & synonyms
SCHEMBL9320528FIQKAZXYYFWFIN-UHFFFAOYSA-N1-{3-[N-(2-isopropyloxyethyl)-N-tert-butoxycarbonylamino]benzoyl}-4-[2-(4-chlorophenyl)ethyl]piperazine
Database identifiers
- PubChem CID
- 19099472
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 712
Related reactions
3 records
Compound notes
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