Basic information
- Standard SMILES
O=C1NC[C@H](O)COc2ccc(F)cc2C2CC(F)(F)CN2c2ccn3ncc1c3n2- InChIKey
RQZIXOOARXBNHW-SFVWDYPZSA-N- Molecular formula
- C20H18F3N5O3
- Average molar mass
- 433.4 g/mol
- Monoisotopic mass
- 433.13617394
Names & identifiers
- Preferred name
- US9718822, 45 Diastereomer 1
- IUPAC
- (15S)-4,4,9-trifluoro-15-hydroxy-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one
Names & synonyms
US9718822, 45 Diastereomer 1SCHEMBL7705211CHEMBL5937561SCHEMBL30899684BDBM267469(15S)-4,4,9-trifluoro-15-hydroxy-13-oxa-2,17,21,22,25-pentaazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1 (25),7 (12),8,10,19(26),20,23-heptaen-18-one(15S)-4,4,9-trifluoro-15-hydroxy-13-oxa-2,17,21,22,25-pentaazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12), 8,10,19(26),20,23-heptaen-18-one
Database identifiers
- PubChem CID
- 70168632
- ChEMBL
CHEMBL5937561
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 781
Related reactions
1 records
Compound notes
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