Basic information
- Standard SMILES
CCN(Cc1cc(C(=O)OCCN(CCCl)C(C)C)cc(Br)c1N)C1CCCCC1- InChIKey
HSDCKEMLXWOCGB-UHFFFAOYSA-N- Molecular formula
- C23H37BrClN3O2
- Average molar mass
- 502.9 g/mol
Names & identifiers
- Preferred name
- N-{2-[4-amino-3-bromo-5-(N-ethyl-cyclohexylaminomethyl)-benzoyloxy]-ethyl}-N-(2-chloroethyl)-isopropylamine
- IUPAC
- 2-[2-chloroethyl(propan-2-yl)amino]ethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate
Names & synonyms
SCHEMBL11260253HSDCKEMLXWOCGB-UHFFFAOYSA-NN-{2-[4-amino-3-bromo-5-(N-ethyl-cyclohexylaminomethyl)-benzoyloxy]-ethyl}-N-(2-chloroethyl)-isopropylamine
Database identifiers
- PubChem CID
- 20516495
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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