Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(=N)c1ccc(CNC(=O)[C@@H]2CCc3ncc(N(Cc4cccc(C(F)(F)F)c4)C(=O)OCc4ccccc4)c(=O)n32)cc1- InChIKey
LEYNFIZJEWCEMQ-NDEPHWFRSA-N- Molecular formula
- C37H37F3N6O6
- Average molar mass
- 718.7 g/mol
- Monoisotopic mass
- 718.27266741
Names & identifiers
- Preferred name
- CID 145857197
- IUPAC
- benzyl N-[(6S)-6-[[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]methylcarbamoyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
Names & synonyms
SCHEMBL8344701
Database identifiers
- PubChem CID
- 145857197
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,400
Related reactions
1 records
Linked notes
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