Basic information
- Standard SMILES
CCN(Cc1cc(C(=O)OCCN(C)CCCl)cc(Br)c1N)C1CCCCC1- InChIKey
RBYCFNQPNIWUIL-UHFFFAOYSA-N- Molecular formula
- C21H33BrClN3O2
- Average molar mass
- 474.9 g/mol
Names & identifiers
- Preferred name
- N-{2-[4-amino-3-bromo-5-(N-ethyl-cyclohexylaminomethyl)-benzoyloxy]-ethyl}-N-(2-chloroethyl)-methylamine
- IUPAC
- 2-[2-chloroethyl(methyl)amino]ethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate
Names & synonyms
SCHEMBL11255689RBYCFNQPNIWUIL-UHFFFAOYSA-NN-{2-[4-amino-3-bromo-5-(N-ethyl-cyclohexylaminomethyl)-benzoyloxy]-ethyl}-N-(2-chloroethyl)-methylamine
Database identifiers
- PubChem CID
- 20516441
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 465
Related reactions
2 records
Compound notes
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