Basic information
- CAS
1482422-90-1- Standard SMILES
NCC1CCN(C(=O)c2sc3ccc(F)cc3c2N)C1- InChIKey
NYHLYPZGMWPLBK-UHFFFAOYSA-N- Molecular formula
- C14H16FN3OS
- Average molar mass
- 293.36 g/mol
- Monoisotopic mass
- 293.09981148
Names & identifiers
- Preferred name
- (3-Amino-5-fluoro-1-benzothiophen-2-yl)[3-(aminomethyl)pyrrolidin-1-yl]methanone
- IUPAC
- (3-amino-5-fluoro-1-benzothiophen-2-yl)-[3-(aminomethyl)pyrrolidin-1-yl]methanone
Names & synonyms
DTXSID401134810AKOS014979247(3-Amino-5-fluoro-1-benzothiophen-2-yl)[3-(aminomethyl)pyrrolidin-1-yl]methanoneMethanone, (3-amino-5-fluorobenzo[b]thien-2-yl)[3-(aminomethyl)-1-pyrrolidinyl]-1482422-90-1
Database identifiers
- CAS
1482422-90-1- PubChem CID
- 65640367
- DTXSID
DTXSID401134810
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…