Basic information
- CAS
5821-25-0- Standard SMILES
COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C2c2ccc(N(CCCl)CCCl)cc2)cc1OC- InChIKey
CWZWLZWZAVOFNY-UHFFFAOYSA-N- Molecular formula
- C32H41Cl2N3O4
- Average molar mass
- 602.6 g/mol
- Monoisotopic mass
- 601.2474122
Names & identifiers
- Preferred name
- 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline
- IUPAC
- 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline
Names & synonyms
4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline5821-25-04-{1,3-Bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl}-N,N-bis(2-chloroethyl)anilineNSC88116DTXSID40329085NSC-88116
Database identifiers
- CAS
5821-25-0- PubChem CID
- 417233
- DTXSID
DTXSID40329085
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 685
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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