Basic information
- Standard SMILES
O=C(O)C(F)(F)C(F)(F)C(=O)N[C@@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12- InChIKey
QZKRPCDOCCWFCK-CXAGYDPISA-N- Molecular formula
- C21H17ClF4N2O4
- Average molar mass
- 472.8 g/mol
Names & identifiers
- Preferred name
- trans-4-[(7-chloro-2,3,4,14b-tetrahydro-1H-dibenzo[b,f]pyrido[1,2-d][1,4]oxazepin-1-yl)amino]-2,2,3,3-tetrafluoro-4-oxobutanoic acid
- IUPAC
- 4-[[(6R,7R)-18-chloro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl]amino]-2,2,3,3-tetrafluoro-4-oxobutanoic acid
Names & synonyms
trans-4-[(7-chloro-2,3,4,14b-tetrahydro-1H-dibenzo[b,f]pyrido[1,2-d][1,4]oxazepin-1-yl)amino]-2,2,3,3-tetrafluoro-4-oxobutanoic acid
Database identifiers
- PubChem CID
- 86599862
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 743
Related reactions
1 records
Compound notes
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