Basic information
- Standard SMILES
CCN(Cc1cc(C(=O)OCCN(C)CCOC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc(Br)c1N)C1CCCCC1- InChIKey
YOVXKDCXDLFYML-UHFFFAOYSA-N- Molecular formula
- C35H43BrCl2N4O4
- Average molar mass
- 734.5 g/mol
Names & identifiers
- Preferred name
- N-{2-[4-Amino-3-bromo-5-(N-ethyl-cyclohexylaminomethyl)benzoyloxy]-ethyl}-N-{2-[2-[(2,6-dichlorophenyl)-amino]phenylacetoxy]-ethyl}-methylamine
- IUPAC
- 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethyl-methylamino]ethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate
Names & synonyms
SCHEMBL11257391YOVXKDCXDLFYML-UHFFFAOYSA-NN-{2-[4-Amino-3-bromo-5-(N-ethyl-cyclohexylaminomethyl)benzoyloxy]-ethyl}-N-{2-[2-[(2,6-dichlorophenyl)-amino]phenylacetoxy]-ethyl}-methylamine
Database identifiers
- PubChem CID
- 54519623
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 921
Related reactions
2 records
Compound notes
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