Basic information
- Standard SMILES
CC(C)N1CCCN(CCOC(=O)COc2ccc(Cl)cc2)CC1- InChIKey
RFBCGKJXVACULH-UHFFFAOYSA-N- Molecular formula
- C18H27ClN2O3
- Average molar mass
- 354.9 g/mol
- Monoisotopic mass
- 354.1710204
Names & identifiers
- Preferred name
- 2-(4-Propan-2-yl-1,4-diazepan-1-yl)ethyl 2-(4-chlorophenoxy)acetate
- IUPAC
- 2-(4-propan-2-yl-1,4-diazepan-1-yl)ethyl 2-(4-chlorophenoxy)acetate
Names & synonyms
2-(4-propan-2-yl-1,4-diazepan-1-yl)ethyl 2-(4-chlorophenoxy)acetateDTXSID701384650
Database identifiers
- PubChem CID
- 55746
- DTXSID
DTXSID701384650
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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