Benzoic acid, 3-[[[[3-[[[3-(diethylamino)propyl]amino]carbonyl]phenyl]amino]carbonyl]amino]-, butyl ester
Basic information
- CAS
2206134-92-9- Standard SMILES
CCCCOC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)NCCCN(CC)CC)c2)c1- InChIKey
YTMPAXBNRUBZFI-UHFFFAOYSA-N- Molecular formula
- C26H36N4O4
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.27365564
Names & identifiers
- Preferred name
- Benzoic acid, 3-[[[[3-[[[3-(diethylamino)propyl]amino]carbonyl]phenyl]amino]carbonyl]amino]-, butyl ester
- IUPAC
- butyl 3-[[3-[3-(diethylamino)propylcarbamoyl]phenyl]carbamoylamino]benzoate
Names & synonyms
DTXSID2011107032206134-92-9Benzoic acid, 3-[[[[3-[[[3-(diethylamino)propyl]amino]carbonyl]phenyl]amino]carbonyl]amino]-, butyl ester
Database identifiers
- CAS
2206134-92-9- PubChem CID
- 165367642
- DTXSID
DTXSID201110703
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…