Basic information
- CAS
65321-74-6- Standard SMILES
COc1ccc(C(=O)CC(CC(=O)N(CCCl)CCCl)c2ccc(OC)cc2)cc1- InChIKey
PPRULNUNFHQCLR-UHFFFAOYSA-N- Molecular formula
- C23H27Cl2NO4
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 451.1317137
Names & identifiers
- Preferred name
- N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)-5-oxopentanamide
- IUPAC
- N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)-5-oxopentanamide
Names & synonyms
65321-74-6NSC265214N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)-5-oxopentanamideDTXSID90312962NSC-265214
Database identifiers
- CAS
65321-74-6- PubChem CID
- 319751
- DTXSID
DTXSID90312962
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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