Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(O)C(N2CCCN(c3ccc(Cl)cc3)CC2)C1- InChIKey
TUUNLWKJLHGEFH-UHFFFAOYSA-N- Molecular formula
- C20H30ClN3O3
- Average molar mass
- 395.9 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-4-hydroxypyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-4-hydroxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1256077
Database identifiers
- PubChem CID
- 66967969
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
Related reactions
3 records
Compound notes
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