Basic information
- CAS
23614-22-4- Standard SMILES
O=C(Nc1ccccc1C(=O)OCCCl)NN1CCCCCC1- InChIKey
QYVNNQFFWGUNFE-UHFFFAOYSA-N- Molecular formula
- C16H22ClN3O3
- Average molar mass
- 339.82 g/mol
- Monoisotopic mass
- 339.1349693
Names & identifiers
- Preferred name
- 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate
- IUPAC
- 2-chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate
Names & synonyms
23614-22-42-chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoateNSC357914DTXSID70320323NSC-3579142-CHLOROETHYL 2-{[(AZEPAN-1-YL)CARBAMOYL]AMINO}BENZOATE
Database identifiers
- CAS
23614-22-4- PubChem CID
- 337901
- DTXSID
DTXSID70320323
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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