N-[3-[(5R)-3-amino-5-ethyl-6,6-difluoro-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-4-chloro-1-ethylpyrazole-3-carboxamide
Basic information
- CAS
1346148-18-2- Standard SMILES
CCn1cc(Cl)c(C(=O)Nc2ccc(F)c([C@@]3(CC)N=C(N)COCC3(F)F)c2)n1- InChIKey
LIIMBNJPEPPLEK-GOSISDBHSA-N- Molecular formula
- C19H21ClF3N5O2
- Average molar mass
- 443.8 g/mol
- Monoisotopic mass
- 443.1335871
Names & identifiers
- Preferred name
- N-[3-[(5R)-3-amino-5-ethyl-6,6-difluoro-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-4-chloro-1-ethylpyrazole-3-carboxamide
- IUPAC
- N-[3-[(5R)-3-amino-5-ethyl-6,6-difluoro-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-4-chloro-1-ethylpyrazole-3-carboxamide
Names & synonyms
SCHEMBL2594299LIIMBNJPEPPLEK-GOSISDBHSA-NDTXSID2011013621346148-18-2N-[3-[(5R)-3-amino-5-ethyl-6,6-difluoro-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-4-chloro-1-ethylpyrazole-3-carboxamide1H-Pyrazole-3-carboxamide, N-[3-[(5R)-3-amino-5-ethyl-6,6-difluoro-2,5,6,7-tetrahydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-4-chloro-1-ethyl-
Database identifiers
- CAS
1346148-18-2- PubChem CID
- 54578686
- DTXSID
DTXSID201101362
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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