Basic information
- CAS
38636-42-9- Standard SMILES
O=C(Cc1ccc(N(CCCl)CCCl)cc1)Nc1ccc(Oc2ccc(NC(=O)Cc3ccc(N(CCCl)CCCl)cc3)cc2)cc1- InChIKey
YNGCGXRNAXFFHT-UHFFFAOYSA-N- Molecular formula
- C36H38Cl4N4O3
- Average molar mass
- 716.5 g/mol
- Monoisotopic mass
- 714.169802
Names & identifiers
- Preferred name
- Benzeneacetamide, N,N'-(oxydi-4,1-phenylene)bis(4-(bis(2-chloroethyl)amino)-
- IUPAC
- 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[4-[4-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]phenoxy]phenyl]acetamide
Names & synonyms
BRN 2932711Benzeneacetamide, N,N'-(oxydi-4,1-phenylene)bis(4-(bis(2-chloroethyl)amino)-38636-42-94,4'-Di(p-bis(2-chloroethyl)aminophenylacetamido)diphenyl etherDTXSID20191949N,N'-(Oxydi-4,1-phenylene)bis(4-(bis(2-chloroethyl)amino)benzeneacetamide)RefChem:324047DTXCID10114440N,N'-[Oxydi(4,1-phenylene)]bis(2-{4-[bis(2-chloroethyl)amino]phenyl}acetamide)
Database identifiers
- CAS
38636-42-9- PubChem CID
- 217342
- DTXSID
DTXSID20191949
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 805
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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