Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CN(C(=O)OCc2ccccc2)CCN(CC(F)(F)F)C1=O- InChIKey
DQDXXJUCHBYWQI-UHFFFAOYSA-N- Molecular formula
- C20H26F3N3O5
- Average molar mass
- 445.4 g/mol
Names & identifiers
- Preferred name
- Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate
- IUPAC
- benzyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate
Names & synonyms
Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylateSCHEMBL1197957Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-4-(2,2,2-trifluoroethy)-1,4-diazepane-1-carboxylate
Database identifiers
- PubChem CID
- 22293256
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 645
Related reactions
16 records
Compound notes
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