Basic information
- CAS
58327-30-3- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(NC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1- InChIKey
AGULAZUAEAXCHG-UHFFFAOYSA-N- Molecular formula
- C27H28Cl2N2O5
- Average molar mass
- 531.4 g/mol
- Monoisotopic mass
- 530.1375274
Names & identifiers
- Preferred name
- Benzoic acid, 4-((bis(4-chlorophenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl 4-[[2,2-bis(4-chlorophenoxy)acetyl]amino]benzoate
Names & synonyms
BRN 27948832-(Diethylamino)ethyl 4-((bis(4-chlorophenoxy)acetyl)amino)benzoate58327-30-34-((Bis(4-chlorophenoxy)acetyl)amino)benzoic acid 2-(diethylamino)ethyl esterBenzoic acid, 4-((bis(4-chlorophenoxy)acetyl)amino)-, 2-(diethylamino)ethyl esterRefChem:327354DTXSID309738942-(Diethylamino)ethyl 4-[2,2-bis(4-chlorophenoxy)acetamido]benzoate
Database identifiers
- CAS
58327-30-3- PubChem CID
- 3045129
- DTXSID
DTXSID30973894
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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