Basic information
- Standard SMILES
C=CCOC(=O)c1ccc(N(Cc2ccc(OC(F)(F)F)cc2)C(=O)OC(C)(C)C)c(NC(=O)COc2ccccc2)c1- InChIKey
ABAGNRONKPBZTM-UHFFFAOYSA-N- Molecular formula
- C31H31F3N2O7
- Average molar mass
- 600.6 g/mol
Names & identifiers
- Preferred name
- 4-[tert-Butoxycarbonyl-(4-trifluoromethoxy-benzyl)-amino]-3-(2-phenoxy-acetylamino)-benzoic acid allyl ester
- IUPAC
- prop-2-enyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-[(2-phenoxyacetyl)amino]benzoate
Names & synonyms
4-[tert-Butoxycarbonyl-(4-trifluoromethoxy-benzyl)-amino]-3-(2-phenoxy-acetylamino)-benzoic acid allyl esterSCHEMBL2985931
Database identifiers
- PubChem CID
- 68466940
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 925
Related reactions
5 records
Compound notes
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